2-[5-(difluoromethyl)-2-methylphenyl]propanoic acid

C11H12F2O2 — CID 117305155

IUPAC2-[5-(difluoromethyl)-2-methylphenyl]propanoic acid
SMILESCc1ccc(C(F)F)cc1C(C)C(=O)O
InChIInChI=1S/C11H12F2O2/c1-6-3-4-8(10(12)13)5-9(6)7(2)11(14)15/h3-5,7,10H,1-2H3,(H,14,15)
InChIKeyNLPJUUGWCHMKFY-UHFFFAOYSA-N
MW214.21 g/mol
LogP3.12
Rot. Bonds3

About 2-[5-(difluoromethyl)-2-methylphenyl]propanoic acid

2-[5-(difluoromethyl)-2-methylphenyl]propanoic acid (PubChem CID 117305155) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-2-methylphenyl]propanoic acid.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-2-methylphenyl]propanoic acid
PubChem CID117305155
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name2-[5-(difluoromethyl)-2-methylphenyl]propanoic acid
SMILESCc1ccc(C(F)F)cc1C(C)C(=O)O
InChIInChI=1S/C11H12F2O2/c1-6-3-4-8(10(12)13)5-9(6)7(2)11(14)15/h3-5,7,10H,1-2H3,(H,14,15)
InChIKeyNLPJUUGWCHMKFY-UHFFFAOYSA-N
XLogP3.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[5-(difluoromethyl)-2-methylphenyl]butanoic acid
CID 84691802
2-[3-(difluoromethyl)-4-methylphenyl]-2-hydroxyacetic acid
CID 117307670
2-(5-iodo-2-methylphenyl)propanoic acid
CID 57419648
2-[5-(2-fluoropropan-2-yl)-2-methylphenyl]propanoic acid
CID 117322097
2-(2-methyl-4-propan-2-ylphenyl)propanoic acid
CID 175234713
2-[3-(difluoromethyl)phenyl]propanoic acid
CID 84669259
2-(2-fluoro-5-propan-2-ylphenyl)propanoic acid
CID 117300317
2-[5-(difluoromethyl)-2-methylphenyl]propan-1-amine
CID 117288683
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
2-amino-2-[5-(difluoromethyl)-2-hydroxyphenyl]acetic acid
CID 84682427
2-(2-hydroxy-3,4-dimethylphenyl)propanoic acid
CID 83878748
(2R)-2-(3-methoxy-4-methylphenyl)propanoic acid
CID 118199604

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-2-methylphenyl]propanoic acid?
The IUPAC name of 2-[5-(difluoromethyl)-2-methylphenyl]propanoic acid (CID 117305155) is 2-[5-(difluoromethyl)-2-methylphenyl]propanoic acid.
What is the SMILES notation for 2-[5-(difluoromethyl)-2-methylphenyl]propanoic acid?
The canonical SMILES for 2-[5-(difluoromethyl)-2-methylphenyl]propanoic acid is Cc1ccc(C(F)F)cc1C(C)C(=O)O.
What is the InChIKey of 2-[5-(difluoromethyl)-2-methylphenyl]propanoic acid?
The InChIKey is NLPJUUGWCHMKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-6-3-4-8(10(12)13)5-9(6)7(2)11(14)15/h3-5,7,10H,1-2H3,(H,14,15).
What are the key properties of 2-[5-(difluoromethyl)-2-methylphenyl]propanoic acid?
2-[5-(difluoromethyl)-2-methylphenyl]propanoic acid has a molecular weight of 214.21 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-2-methylphenyl]propanoic acid is sourced from PubChem (CID 117305155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).