2-(3,4-difluoro-2-methylphenyl)-2-hydroxyacetic acid

C9H8F2O3 — CID 131032215

IUPAC2-(3,4-difluoro-2-methylphenyl)-2-hydroxyacetic acid
SMILESCc1c(C(O)C(=O)O)ccc(F)c1F
InChIInChI=1S/C9H8F2O3/c1-4-5(8(12)9(13)14)2-3-6(10)7(4)11/h2-3,8,12H,1H3,(H,13,14)
InChIKeyCSIPOOZZGYTIAS-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.39
Rot. Bonds2

About 2-(3,4-difluoro-2-methylphenyl)-2-hydroxyacetic acid

2-(3,4-difluoro-2-methylphenyl)-2-hydroxyacetic acid (PubChem CID 131032215) has the molecular formula C9H8F2O3 and a molecular weight of 202.16 g/mol. Its IUPAC name is 2-(3,4-difluoro-2-methylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3,4-difluoro-2-methylphenyl)-2-hydroxyacetic acid
PubChem CID131032215
Molecular FormulaC9H8F2O3
Molecular Weight202.16 g/mol
Exact Mass202.04
IUPAC Name2-(3,4-difluoro-2-methylphenyl)-2-hydroxyacetic acid
SMILESCc1c(C(O)C(=O)O)ccc(F)c1F
InChIInChI=1S/C9H8F2O3/c1-4-5(8(12)9(13)14)2-3-6(10)7(4)11/h2-3,8,12H,1H3,(H,13,14)
InChIKeyCSIPOOZZGYTIAS-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-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117310475
2-(2,3-dichloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 119001488
2-(2,3-difluoro-6-methylphenyl)-2-hydroxyacetic acid
CID 119000982
2-[2-(difluoromethoxy)-4-fluoro-3-methylphenyl]-2-hydroxyacetic acid
CID 171026342
2-(2-bromo-3-fluoro-4-methylphenyl)-2-hydroxyacetic acid
CID 117411611
2-(2-bromo-3-chloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 171000572
bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)
CID 139124387
N-[(3,4-difluoro-2-methylphenyl)-fluoromethyl]propanamide
CID 175322647
2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117341279
(2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131387020
(2S)-2-(2,4-dichloro-3-methylphenyl)-2-hydroxyacetic acid
CID 125129497
2-(2,3-difluoro-4-methylsulfonylphenyl)-2-hydroxyacetic acid
CID 117419189

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoro-2-methylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3,4-difluoro-2-methylphenyl)-2-hydroxyacetic acid (CID 131032215) is 2-(3,4-difluoro-2-methylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3,4-difluoro-2-methylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3,4-difluoro-2-methylphenyl)-2-hydroxyacetic acid is Cc1c(C(O)C(=O)O)ccc(F)c1F.
What is the InChIKey of 2-(3,4-difluoro-2-methylphenyl)-2-hydroxyacetic acid?
The InChIKey is CSIPOOZZGYTIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O3/c1-4-5(8(12)9(13)14)2-3-6(10)7(4)11/h2-3,8,12H,1H3,(H,13,14).
What are the key properties of 2-(3,4-difluoro-2-methylphenyl)-2-hydroxyacetic acid?
2-(3,4-difluoro-2-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-(3,4-difluoro-2-methylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 131032215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).