2-(2,3-difluoro-6-methylphenyl)-2-hydroxyacetic acid

C9H8F2O3 — CID 119000982

IUPAC2-(2,3-difluoro-6-methylphenyl)-2-hydroxyacetic acid
SMILESCc1ccc(F)c(F)c1C(O)C(=O)O
InChIInChI=1S/C9H8F2O3/c1-4-2-3-5(10)7(11)6(4)8(12)9(13)14/h2-3,8,12H,1H3,(H,13,14)
InChIKeyRIUULBTYGPMPCO-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.39
Rot. Bonds2

About 2-(2,3-difluoro-6-methylphenyl)-2-hydroxyacetic acid

2-(2,3-difluoro-6-methylphenyl)-2-hydroxyacetic acid (PubChem CID 119000982) has the molecular formula C9H8F2O3 and a molecular weight of 202.16 g/mol. Its IUPAC name is 2-(2,3-difluoro-6-methylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2,3-difluoro-6-methylphenyl)-2-hydroxyacetic acid
PubChem CID119000982
Molecular FormulaC9H8F2O3
Molecular Weight202.16 g/mol
Exact Mass202.04
IUPAC Name2-(2,3-difluoro-6-methylphenyl)-2-hydroxyacetic acid
SMILESCc1ccc(F)c(F)c1C(O)C(=O)O
InChIInChI=1S/C9H8F2O3/c1-4-2-3-5(10)7(11)6(4)8(12)9(13)14/h2-3,8,12H,1H3,(H,13,14)
InChIKeyRIUULBTYGPMPCO-UHFFFAOYSA-N
XLogP1.39
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-3,6-dimethylphenyl)-2-hydroxyacetic acid
CID 130967567
2-(3,4-difluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131032215
2-(6-cyano-2,3-difluorophenyl)-2-hydroxyacetic acid
CID 131601802
(2S)-2-(2-chloro-3,6-difluorophenyl)-2-hydroxyacetic acid
CID 131460711
2-(2-bromo-3-fluoro-4-methylphenyl)-2-hydroxyacetic acid
CID 117411611
2-[3-(difluoromethyl)-2,6-difluorophenyl]-2-hydroxyacetic acid
CID 119013695
2-(3-fluoro-2-methyl-6-nitrophenyl)-2-hydroxyacetic acid
CID 131557302
2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117310475
2-(6-chloro-3-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117314963
methyl 2-hydroxy-2-(2,3,6-trifluorophenyl)acetate
CID 117313680
2-amino-3-(6-fluoro-2,3-dimethylphenyl)-3-hydroxypropanoic acid
CID 138520335
2-[(2,6-difluoro-3-methylbenzoyl)amino]propanoic acid
CID 82815283

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-6-methylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2,3-difluoro-6-methylphenyl)-2-hydroxyacetic acid (CID 119000982) is 2-(2,3-difluoro-6-methylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2,3-difluoro-6-methylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2,3-difluoro-6-methylphenyl)-2-hydroxyacetic acid is Cc1ccc(F)c(F)c1C(O)C(=O)O.
What is the InChIKey of 2-(2,3-difluoro-6-methylphenyl)-2-hydroxyacetic acid?
The InChIKey is RIUULBTYGPMPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O3/c1-4-2-3-5(10)7(11)6(4)8(12)9(13)14/h2-3,8,12H,1H3,(H,13,14).
What are the key properties of 2-(2,3-difluoro-6-methylphenyl)-2-hydroxyacetic acid?
2-(2,3-difluoro-6-methylphenyl)-2-hydroxyacetic acid has a molecular weight of 202.16 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-6-methylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 119000982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).