2-[2-(dimethylamino)-3-fluorophenyl]-2-hydroxyacetic acid

C10H12FNO3 — CID 117108572

IUPAC2-[2-(dimethylamino)-3-fluorophenyl]-2-hydroxyacetic acid
SMILESCN(C)c1c(F)cccc1C(O)C(=O)O
InChIInChI=1S/C10H12FNO3/c1-12(2)8-6(9(13)10(14)15)4-3-5-7(8)11/h3-5,9,13H,1-2H3,(H,14,15)
InChIKeyRVWRHEFCRBYMHB-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.01
Rot. Bonds3

About 2-[2-(dimethylamino)-3-fluorophenyl]-2-hydroxyacetic acid

2-[2-(dimethylamino)-3-fluorophenyl]-2-hydroxyacetic acid (PubChem CID 117108572) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-3-fluorophenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)-3-fluorophenyl]-2-hydroxyacetic acid
PubChem CID117108572
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name2-[2-(dimethylamino)-3-fluorophenyl]-2-hydroxyacetic acid
SMILESCN(C)c1c(F)cccc1C(O)C(=O)O
InChIInChI=1S/C10H12FNO3/c1-12(2)8-6(9(13)10(14)15)4-3-5-7(8)11/h3-5,9,13H,1-2H3,(H,14,15)
InChIKeyRVWRHEFCRBYMHB-UHFFFAOYSA-N
XLogP1.01
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(dimethylamino)-3-fluorophenyl]-2-hydroxyacetic 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

2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetic acid
CID 117332015
(2S)-2-(2,3-difluorophenyl)-2-(dimethylamino)acetic acid
CID 174754003
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid
CID 26722551
2-[2,3-bis(methylsulfanyl)phenyl]-2-hydroxyacetic acid
CID 117362892
2-[acetyl(methyl)amino]-2-(2,3-difluorophenyl)acetic acid
CID 63701401
2-[2-(dimethylamino)-3-fluorophenyl]propan-2-ol
CID 117113926
2-amino-2-[2-(dimethylamino)-3,6-difluorophenyl]acetic acid
CID 117115111
2-[2-fluoro-6-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide
CID 114059093
2-(3-fluoro-2-pyridin-3-ylphenyl)-2-hydroxyacetic acid
CID 46315689
1-[2-(dimethylamino)-3-fluorophenyl]cyclobutane-1-carboxylic acid
CID 117114309
2-amino-1-[2-(dimethylamino)-3-fluorophenyl]ethanone
CID 117115563
2-(3,4-difluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131032215

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-3-fluorophenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[2-(dimethylamino)-3-fluorophenyl]-2-hydroxyacetic acid (CID 117108572) is 2-[2-(dimethylamino)-3-fluorophenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)-3-fluorophenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[2-(dimethylamino)-3-fluorophenyl]-2-hydroxyacetic acid is CN(C)c1c(F)cccc1C(O)C(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)-3-fluorophenyl]-2-hydroxyacetic acid?
The InChIKey is RVWRHEFCRBYMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-12(2)8-6(9(13)10(14)15)4-3-5-7(8)11/h3-5,9,13H,1-2H3,(H,14,15).
What are the key properties of 2-[2-(dimethylamino)-3-fluorophenyl]-2-hydroxyacetic acid?
2-[2-(dimethylamino)-3-fluorophenyl]-2-hydroxyacetic acid has a molecular weight of 213.21 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-3-fluorophenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 117108572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).