2-[3-(difluoromethyl)-4-methylphenyl]-2-hydroxyacetic acid

C10H10F2O3 — CID 117307670

IUPAC2-[3-(difluoromethyl)-4-methylphenyl]-2-hydroxyacetic acid
SMILESCc1ccc(C(O)C(=O)O)cc1C(F)F
InChIInChI=1S/C10H10F2O3/c1-5-2-3-6(8(13)10(14)15)4-7(5)9(11)12/h2-4,8-9,13H,1H3,(H,14,15)
InChIKeyYVGLRRKMQMQYQA-UHFFFAOYSA-N
MW216.18 g/mol
LogP2.05
Rot. Bonds3

About 2-[3-(difluoromethyl)-4-methylphenyl]-2-hydroxyacetic acid

2-[3-(difluoromethyl)-4-methylphenyl]-2-hydroxyacetic acid (PubChem CID 117307670) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-4-methylphenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-4-methylphenyl]-2-hydroxyacetic acid
PubChem CID117307670
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name2-[3-(difluoromethyl)-4-methylphenyl]-2-hydroxyacetic acid
SMILESCc1ccc(C(O)C(=O)O)cc1C(F)F
InChIInChI=1S/C10H10F2O3/c1-5-2-3-6(8(13)10(14)15)4-7(5)9(11)12/h2-4,8-9,13H,1H3,(H,14,15)
InChIKeyYVGLRRKMQMQYQA-UHFFFAOYSA-N
XLogP2.05
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(difluoromethyl)-2-methylphenyl]propanoic acid
CID 117305155
2-[4-(difluoromethyl)-3-fluorophenyl]-2-hydroxyacetic acid
CID 117313687
(2R)-2-hydroxy-2-(3-hydroxy-4-methylphenyl)acetic acid
CID 57154315
2-[4-(3-chloro-2-oxopropyl)-3-(difluoromethyl)phenyl]-2-hydroxyacetic acid
CID 118812674
2-[3-(difluoromethyl)-4-(3-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656671
2-[3-(3-bromopropanoyl)-4-methylphenyl]-2-hydroxyacetic acid
CID 135741178
2-[3-(difluoromethyl)-4,5-difluorophenyl]-2-hydroxyacetic acid
CID 131574789
2-[5-(1-chloro-2-oxopropyl)-2-(difluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134656720
3-[5-(difluoromethyl)-2-methylphenyl]butanoic acid
CID 84691802
(2R)-2-hydroxy-2-(4-methyl-3-nitrophenyl)acetic acid
CID 131420861
2-[3-(3-bromopropyl)-4-(difluoromethyl)phenyl]-2-hydroxyacetic acid
CID 135740762
2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117409617

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-4-methylphenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[3-(difluoromethyl)-4-methylphenyl]-2-hydroxyacetic acid (CID 117307670) is 2-[3-(difluoromethyl)-4-methylphenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[3-(difluoromethyl)-4-methylphenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[3-(difluoromethyl)-4-methylphenyl]-2-hydroxyacetic acid is Cc1ccc(C(O)C(=O)O)cc1C(F)F.
What is the InChIKey of 2-[3-(difluoromethyl)-4-methylphenyl]-2-hydroxyacetic acid?
The InChIKey is YVGLRRKMQMQYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3/c1-5-2-3-6(8(13)10(14)15)4-7(5)9(11)12/h2-4,8-9,13H,1H3,(H,14,15).
What are the key properties of 2-[3-(difluoromethyl)-4-methylphenyl]-2-hydroxyacetic acid?
2-[3-(difluoromethyl)-4-methylphenyl]-2-hydroxyacetic acid has a molecular weight of 216.18 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-4-methylphenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 117307670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).