Back to Compounds

Showing Compound Fluoride (FDB004485)

Record Information
Version1.0
Creation date2010-04-08 22:06:16 UTC
Update date2025-11-18 22:56:25 UTC
Primary IDFDB004485
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameFluoride
DescriptionFluoride, also known as fluoride ion, belongs to the class of inorganic compounds known as homogeneous halogens. These are inorganic non-metallic compounds in which the largest atom is a nobel gas. Fluoride exists in all eukaryotes, ranging from yeast to plants to humans. Fluoride is found, on average, in the highest concentration within a few different foods, such as black raisin, pepper (spice), and eastern oysters (Crassostrea virginica) and in a lower concentration in salted butter, cornbread, and broccolis (Brassica oleracea var. italica). Fluoride has also been detected, but not quantified in, a few different foods, such as gingers (Zingiber officinale), red tea, and sugar. This could make fluoride a potential biomarker for the consumption of these foods. Based on a literature review a small amount of articles have been published on Fluoride.
CAS Number16984-48-8
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
F(-)ChEBI
FLUORIDE ionChEBI
Fluorine anionChEBI
FluoridesHMDB
Fluoride ionmanual
Fluorine ionmanual
Predicted Properties
PropertyValueSource
logP0.15ChemAxon
pKa (Strongest Acidic)3.17ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0.87 m³·mol⁻¹ChemAxon
Polarizability0.44 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaF
IUPAC namefluoride
InChI IdentifierInChI=1S/FH/h1H/p-1
InChI KeyKRHYYFGTRYWZRS-UHFFFAOYSA-M
Isomeric SMILES[F-]
Average Molecular Weight18.9984
Monoisotopic Molecular Weight18.998403205
Classification
Description Belongs to the class of inorganic compounds known as homogeneous halogens. These are inorganic non-metallic compounds in which the largest atom is a nobel gas.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassHomogeneous halogens
Sub ClassNot Available
Direct ParentHomogeneous halogens
Alternative ParentsNot Available
Substituents
  • Homogeneous halogen
Molecular FrameworkNot Available
External Descriptors
Ontology
OntologyNo ontology term
Physico-Chemical Properties
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-00di-9000000000-15e49aa98d47f1ff81452016-08-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00di-9000000000-15e49aa98d47f1ff81452016-08-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-00di-9000000000-15e49aa98d47f1ff81452016-08-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014i-9000000000-0ca435743791c1006c742016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-014i-9000000000-0ca435743791c1006c742016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-014i-9000000000-0ca435743791c1006c742016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014i-9000000000-292905fbf11dc3acf1402021-09-25View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-014i-9000000000-292905fbf11dc3acf1402021-09-25View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-014i-9000000000-292905fbf11dc3acf1402021-09-25View Spectrum
NMRNot Available
ChemSpider ID26214
ChEMBL IDCHEMBL1362
KEGG Compound IDC00742
Pubchem Compound ID28179
Pubchem Substance IDNot Available
ChEBI ID17051
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB0000662
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDFLUORIDE
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDFluoride
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / Bioactivities
DescriptorIDDefinitionReference
Anti cariogenic52217 An agent that prevents tooth decay, reducing bacterial acid production and plaque formation. Its biological role is to inhibit the growth of cariogenic bacteria, and its therapeutic applications include preventing dental caries and managing tooth decay. Key medical uses include toothpaste, mouthwashes, and dental varnishes to maintain oral health.DUKE
Anti osteoporotic52217 An agent that prevents or treats osteoporosis by promoting bone density, reducing bone resorption, and increasing calcium absorption, commonly used in managing osteoporosis, osteopenia, and preventing fractures.DUKE
Anti osteosclerotic52217 An agent that inhibits excessive bone formation, reducing abnormal bone density. Its biological role involves regulating bone metabolism, and its therapeutic applications include treating conditions like osteopetrosis and bone metastases. Key medical uses include managing bone disorders and preventing skeletal complications in cancer patients.DUKE
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— U.S. Department of Agriculture, Agricultural Research Service. 2008. USDA National Nutrient Database for Standard Reference, Release 21. Nutrient Data Laboratory Home Page.
— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).