5-(hydroxymethyl)-2-(trifluoromethyl)benzoic acid

C9H7F3O3 — CID 10867785

IUPAC5-(hydroxymethyl)-2-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(CO)ccc1C(F)(F)F
InChIInChI=1S/C9H7F3O3/c10-9(11,12)7-2-1-5(4-13)3-6(7)8(14)15/h1-3,13H,4H2,(H,14,15)
InChIKeyWCFHUCMAVPPJSC-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.90
Rot. Bonds2

About 5-(hydroxymethyl)-2-(trifluoromethyl)benzoic acid

5-(hydroxymethyl)-2-(trifluoromethyl)benzoic acid (PubChem CID 10867785) has the molecular formula C9H7F3O3 and a molecular weight of 220.15 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-(trifluoromethyl)benzoic acid
PubChem CID10867785
Molecular FormulaC9H7F3O3
Molecular Weight220.15 g/mol
Exact Mass220.03
IUPAC Name5-(hydroxymethyl)-2-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(CO)ccc1C(F)(F)F
InChIInChI=1S/C9H7F3O3/c10-9(11,12)7-2-1-5(4-13)3-6(7)8(14)15/h1-3,13H,4H2,(H,14,15)
InChIKeyWCFHUCMAVPPJSC-UHFFFAOYSA-N
XLogP1.90
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(hydroxymethyl)-2-(trifluoromethyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)benzoic acid
CID 115050580
5-(propan-2-yloxymethyl)-2-(trifluoromethyl)benzoic acid
CID 117222030
5-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)benzoic acid
CID 117221627
5-[(cyclopentylamino)methyl]-2-(trifluoromethyl)benzoic acid
CID 117221551
5-[(2-fluorophenoxy)methyl]-2-(trifluoromethyl)benzoic acid
CID 117221712
4-(hydroxymethyl)-2-(2,2,2-trifluoroethyl)benzoic acid
CID 175262025
5-[4-(2-methylpropyl)phenyl]-2-(trifluoromethyl)benzoic acid
CID 172652338
2-bromo-5-(hydroxymethyl)benzoic acid
CID 58334636
2-hydroxy-5-(hydroxymethyl)benzoic acid;hydrate
CID 143701810
[4-chloro-3-(trifluoromethyl)phenyl]methanol
CID 2778111
4-(hydroxymethyl)-2-methylbenzoic acid
CID 23212172
4-(methoxymethyl)-2-(trifluoromethyl)benzoic acid
CID 117220672

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-(trifluoromethyl)benzoic acid?
The IUPAC name of 5-(hydroxymethyl)-2-(trifluoromethyl)benzoic acid (CID 10867785) is 5-(hydroxymethyl)-2-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 5-(hydroxymethyl)-2-(trifluoromethyl)benzoic acid?
The canonical SMILES for 5-(hydroxymethyl)-2-(trifluoromethyl)benzoic acid is O=C(O)c1cc(CO)ccc1C(F)(F)F.
What is the InChIKey of 5-(hydroxymethyl)-2-(trifluoromethyl)benzoic acid?
The InChIKey is WCFHUCMAVPPJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O3/c10-9(11,12)7-2-1-5(4-13)3-6(7)8(14)15/h1-3,13H,4H2,(H,14,15).
What are the key properties of 5-(hydroxymethyl)-2-(trifluoromethyl)benzoic acid?
5-(hydroxymethyl)-2-(trifluoromethyl)benzoic acid has a molecular weight of 220.15 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 10867785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).