2-fluoro-3-(hydroxymethyl)benzoic acid

C8H7FO3 — CID 2774489

IUPAC2-fluoro-3-(hydroxymethyl)benzoic acid
SMILESO=C(O)c1cccc(CO)c1F
InChIInChI=1S/C8H7FO3/c9-7-5(4-10)2-1-3-6(7)8(11)12/h1-3,10H,4H2,(H,11,12)
InChIKeyVZUWHOMAXWKXOF-UHFFFAOYSA-N
MW170.14 g/mol
LogP1.02
Rot. Bonds2

About 2-fluoro-3-(hydroxymethyl)benzoic acid

2-fluoro-3-(hydroxymethyl)benzoic acid (PubChem CID 2774489) has the molecular formula C8H7FO3 and a molecular weight of 170.14 g/mol. Its IUPAC name is 2-fluoro-3-(hydroxymethyl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-3-(hydroxymethyl)benzoic acid
PubChem CID2774489
Molecular FormulaC8H7FO3
Molecular Weight170.14 g/mol
Exact Mass170.04
IUPAC Name2-fluoro-3-(hydroxymethyl)benzoic acid
SMILESO=C(O)c1cccc(CO)c1F
InChIInChI=1S/C8H7FO3/c9-7-5(4-10)2-1-3-6(7)8(11)12/h1-3,10H,4H2,(H,11,12)
InChIKeyVZUWHOMAXWKXOF-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

3-(2-bromoethyl)-2-fluorobenzoic acid
CID 174686593
2-fluoro-3-(3-hydroxypropylsulfanylmethyl)benzoic acid
CID 107119900
2-fluoro-3-(3-hydroxypropoxymethyl)benzoic acid
CID 107119719
2-fluoro-3-[(N-methylanilino)methyl]benzoic acid
CID 107119323
3-(ethylsulfanylmethyl)-2-fluorobenzoic acid
CID 107119816
2-ethyl-3-(hydroxymethyl)benzoic acid
CID 141102852
2-fluoro-3-(phenylmethoxymethyl)benzoic acid
CID 107119649
2-fluoro-3-(prop-2-enoxymethyl)benzoic acid
CID 107119645
3-(benzamidomethyl)-2-fluorobenzoic acid
CID 175493024
2-fluoro-6-(hydroxymethyl)benzoic acid
CID 46831349
3-[(2-ethylphenoxy)methyl]-2-fluorobenzoic acid
CID 107119721
2-fluoro-3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
CID 107119523

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(hydroxymethyl)benzoic acid?
The IUPAC name of 2-fluoro-3-(hydroxymethyl)benzoic acid (CID 2774489) is 2-fluoro-3-(hydroxymethyl)benzoic acid.
What is the SMILES notation for 2-fluoro-3-(hydroxymethyl)benzoic acid?
The canonical SMILES for 2-fluoro-3-(hydroxymethyl)benzoic acid is O=C(O)c1cccc(CO)c1F.
What is the InChIKey of 2-fluoro-3-(hydroxymethyl)benzoic acid?
The InChIKey is VZUWHOMAXWKXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO3/c9-7-5(4-10)2-1-3-6(7)8(11)12/h1-3,10H,4H2,(H,11,12).
What are the key properties of 2-fluoro-3-(hydroxymethyl)benzoic acid?
2-fluoro-3-(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-3-(hydroxymethyl)benzoic acid is sourced from PubChem (CID 2774489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).