2-[4-(trifluoromethyl)phenyl]propanoic acid

C10H9F3O2 — CID 10242484

IUPAC2-[4-(trifluoromethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O2/c1-6(9(14)15)7-2-4-8(5-3-7)10(11,12)13/h2-6H,1H3,(H,14,15)
InChIKeyRSLAPCSAZMQDSO-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.89
Rot. Bonds2

About 2-[4-(trifluoromethyl)phenyl]propanoic acid

2-[4-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 10242484) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]propanoic acid
PubChem CID10242484
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name2-[4-(trifluoromethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O2/c1-6(9(14)15)7-2-4-8(5-3-7)10(11,12)13/h2-6H,1H3,(H,14,15)
InChIKeyRSLAPCSAZMQDSO-UHFFFAOYSA-N
XLogP2.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[4-(trifluoromethyl)phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]propanoic acid (CID 10242484) is 2-[4-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]propanoic acid is CC(C(=O)O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is RSLAPCSAZMQDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2/c1-6(9(14)15)7-2-4-8(5-3-7)10(11,12)13/h2-6H,1H3,(H,14,15).
What are the key properties of 2-[4-(trifluoromethyl)phenyl]propanoic acid?
2-[4-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 218.17 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 10242484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).