2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid

C16H13F3O2 — CID 65431890

IUPAC2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid
SMILESO=C(O)C(Cc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C16H13F3O2/c17-16(18,19)13-8-4-5-11(9-13)10-14(15(20)21)12-6-2-1-3-7-12/h1-9,14H,10H2,(H,20,21)
InChIKeyLRUMHXQIIQXSRC-UHFFFAOYSA-N
MW294.27 g/mol
LogP4.12
Rot. Bonds4

About 2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid

2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 65431890) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid
PubChem CID65431890
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid
SMILESO=C(O)C(Cc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C16H13F3O2/c17-16(18,19)13-8-4-5-11(9-13)10-14(15(20)21)12-6-2-1-3-7-12/h1-9,14H,10H2,(H,20,21)
InChIKeyLRUMHXQIIQXSRC-UHFFFAOYSA-N
XLogP4.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-phenyl-3-[3-(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

Related Compounds

1-(2-chloro-2-phenylethyl)-3-(trifluoromethyl)benzene
CID 4737547
(2S)-2,3-diphenylpropanoic acid
CID 737125
3-(3-hydroxyphenyl)-2-phenylpropanoic acid
CID 75532125
(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride
CID 70396807
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
dibenzyl 2-[[3-(trifluoromethyl)phenyl]methyl]propanedioate
CID 10503338
1-amino-1-phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 116551173
(2S)-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid
CID 70500671
(2R)-2-[benzenesulfonyl(methyl)amino]-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 125045170
2-bromo-3-[3-(trifluoromethyl)phenyl]propanamide
CID 104513003
1-(3-bromo-2-methyl-3-phenylpropyl)-3-(trifluoromethyl)benzene
CID 104846538
(2R)-2-fluoro-3-[3-(trifluoromethyl)phenyl]propanal
CID 70677220

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of 2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid (CID 65431890) is 2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for 2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid is O=C(O)C(Cc1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of 2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is LRUMHXQIIQXSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c17-16(18,19)13-8-4-5-11(9-13)10-14(15(20)21)12-6-2-1-3-7-12/h1-9,14H,10H2,(H,20,21).
What are the key properties of 2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid?
2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 294.27 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 65431890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).