2-fluoro-6-(hydroxymethyl)benzoic acid

C8H7FO3 — CID 46831349

IUPAC2-fluoro-6-(hydroxymethyl)benzoic acid
SMILESO=C(O)c1c(F)cccc1CO
InChIInChI=1S/C8H7FO3/c9-6-3-1-2-5(4-10)7(6)8(11)12/h1-3,10H,4H2,(H,11,12)
InChIKeyKQTYBMFUAGOUBF-UHFFFAOYSA-N
MW170.14 g/mol
LogP1.02
Rot. Bonds2

About 2-fluoro-6-(hydroxymethyl)benzoic acid

2-fluoro-6-(hydroxymethyl)benzoic acid (PubChem CID 46831349) has the molecular formula C8H7FO3 and a molecular weight of 170.14 g/mol. Its IUPAC name is 2-fluoro-6-(hydroxymethyl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-(hydroxymethyl)benzoic acid
PubChem CID46831349
Molecular FormulaC8H7FO3
Molecular Weight170.14 g/mol
Exact Mass170.04
IUPAC Name2-fluoro-6-(hydroxymethyl)benzoic acid
SMILESO=C(O)c1c(F)cccc1CO
InChIInChI=1S/C8H7FO3/c9-6-3-1-2-5(4-10)7(6)8(11)12/h1-3,10H,4H2,(H,11,12)
InChIKeyKQTYBMFUAGOUBF-UHFFFAOYSA-N
XLogP1.02
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-dideuterioprop-2-enyl)-6-fluorobenzoic acid
CID 162681590
2-fluoro-6-[(2-phenylhydrazinyl)methyl]benzoic acid
CID 169387158
2-fluoro-3-(hydroxymethyl)benzoic acid
CID 2774489
2-ethoxycarbonyl-6-fluorobenzoic acid;[3-fluoro-2-(hydroxymethyl)phenyl]methanol
CID 158805462
2-[(2S)-2-amino-3-methoxy-3-oxopropyl]-6-fluorobenzoic acid
CID 171238482
2-fluoro-6-methylbenzoic acid
CID 13478132
2-fluoro-6-[[[(2E)-2-methoxyiminoethylidene]amino]methyl]benzoic acid
CID 172921074
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 79522311
2-[(2-chloro-3-fluorophenyl)methoxy]-6-fluorobenzoic acid
CID 104651365
2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]benzoic acid
CID 114560340
2-fluoro-6-(4-hydroxybut-1-enyl)benzoic acid
CID 170476801
2-(1-bromo-2-oxopropyl)-6-(hydroxymethyl)benzoic acid
CID 131303123

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(hydroxymethyl)benzoic acid?
The IUPAC name of 2-fluoro-6-(hydroxymethyl)benzoic acid (CID 46831349) is 2-fluoro-6-(hydroxymethyl)benzoic acid.
What is the SMILES notation for 2-fluoro-6-(hydroxymethyl)benzoic acid?
The canonical SMILES for 2-fluoro-6-(hydroxymethyl)benzoic acid is O=C(O)c1c(F)cccc1CO.
What is the InChIKey of 2-fluoro-6-(hydroxymethyl)benzoic acid?
The InChIKey is KQTYBMFUAGOUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO3/c9-6-3-1-2-5(4-10)7(6)8(11)12/h1-3,10H,4H2,(H,11,12).
What are the key properties of 2-fluoro-6-(hydroxymethyl)benzoic acid?
2-fluoro-6-(hydroxymethyl)benzoic acid has a molecular weight of 170.14 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(hydroxymethyl)benzoic acid is sourced from PubChem (CID 46831349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).