3-(2,4-difluoro-5-propan-2-ylphenyl)-2-methylpropanoic acid

C13H16F2O2 — CID 117357572

IUPAC3-(2,4-difluoro-5-propan-2-ylphenyl)-2-methylpropanoic acid
SMILESCC(Cc1cc(C(C)C)c(F)cc1F)C(=O)O
InChIInChI=1S/C13H16F2O2/c1-7(2)10-5-9(4-8(3)13(16)17)11(14)6-12(10)15/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyJTRMCAHZCUAIPV-UHFFFAOYSA-N
MW242.26 g/mol
LogP3.35
Rot. Bonds4

About 3-(2,4-difluoro-5-propan-2-ylphenyl)-2-methylpropanoic acid

3-(2,4-difluoro-5-propan-2-ylphenyl)-2-methylpropanoic acid (PubChem CID 117357572) has the molecular formula C13H16F2O2 and a molecular weight of 242.26 g/mol. Its IUPAC name is 3-(2,4-difluoro-5-propan-2-ylphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2,4-difluoro-5-propan-2-ylphenyl)-2-methylpropanoic acid
PubChem CID117357572
Molecular FormulaC13H16F2O2
Molecular Weight242.26 g/mol
Exact Mass242.11
IUPAC Name3-(2,4-difluoro-5-propan-2-ylphenyl)-2-methylpropanoic acid
SMILESCC(Cc1cc(C(C)C)c(F)cc1F)C(=O)O
InChIInChI=1S/C13H16F2O2/c1-7(2)10-5-9(4-8(3)13(16)17)11(14)6-12(10)15/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyJTRMCAHZCUAIPV-UHFFFAOYSA-N
XLogP3.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2,4-difluoro-5-propan-2-ylphenyl)-2-methylpropanoic 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-amino-3-(2,4-difluoro-5-propan-2-ylphenyl)propanoic acid
CID 117359429
3-(2,5-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid
CID 117307767
3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid
CID 83402731
1-(bromomethyl)-2,4-difluoro-5-propan-2-ylbenzene
CID 152963520
3-(5-fluoro-2,4-dimethylphenyl)-2-methylpropanoic acid
CID 84781211
3-(2,3-difluorophenyl)-2-methylpropanoic acid
CID 61130457
1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)propan-2-one
CID 117297798
2-methyl-3-(6-propan-2-yl-1,3-benzodioxol-5-yl)propanoic acid
CID 117378866
3-[5-(difluoromethyl)-2,3-difluorophenyl]-2-methylpropanoic acid
CID 117378292
3-(2-hydroxy-4,5-dimethylphenyl)-2-methylpropanoic acid
CID 131600841
O-[(2,4-difluoro-5-propan-2-ylphenyl)methyl]hydroxylamine
CID 117289934
2-methyl-3-[methyl-[2-(2,4,5-trifluorophenyl)acetyl]amino]propanoic acid
CID 122111592

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluoro-5-propan-2-ylphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(2,4-difluoro-5-propan-2-ylphenyl)-2-methylpropanoic acid (CID 117357572) is 3-(2,4-difluoro-5-propan-2-ylphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2,4-difluoro-5-propan-2-ylphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2,4-difluoro-5-propan-2-ylphenyl)-2-methylpropanoic acid is CC(Cc1cc(C(C)C)c(F)cc1F)C(=O)O.
What is the InChIKey of 3-(2,4-difluoro-5-propan-2-ylphenyl)-2-methylpropanoic acid?
The InChIKey is JTRMCAHZCUAIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O2/c1-7(2)10-5-9(4-8(3)13(16)17)11(14)6-12(10)15/h5-8H,4H2,1-3H3,(H,16,17).
What are the key properties of 3-(2,4-difluoro-5-propan-2-ylphenyl)-2-methylpropanoic acid?
3-(2,4-difluoro-5-propan-2-ylphenyl)-2-methylpropanoic acid has a molecular weight of 242.26 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluoro-5-propan-2-ylphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 117357572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).