2-propyl-2-[3-(trifluoromethyl)phenyl]pentanoic acid

C15H19F3O2 — CID 63541225

IUPAC2-propyl-2-[3-(trifluoromethyl)phenyl]pentanoic acid
SMILESCCCC(CCC)(C(=O)O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3O2/c1-3-8-14(9-4-2,13(19)20)11-6-5-7-12(10-11)15(16,17)18/h5-7,10H,3-4,8-9H2,1-2H3,(H,19,20)
InChIKeyIXTQFQKEASHYTP-UHFFFAOYSA-N
MW288.31 g/mol
LogP4.63
Rot. Bonds6

About 2-propyl-2-[3-(trifluoromethyl)phenyl]pentanoic acid

2-propyl-2-[3-(trifluoromethyl)phenyl]pentanoic acid (PubChem CID 63541225) has the molecular formula C15H19F3O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-propyl-2-[3-(trifluoromethyl)phenyl]pentanoic acid.

Molecular Properties

Compound Name2-propyl-2-[3-(trifluoromethyl)phenyl]pentanoic acid
PubChem CID63541225
Molecular FormulaC15H19F3O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name2-propyl-2-[3-(trifluoromethyl)phenyl]pentanoic acid
SMILESCCCC(CCC)(C(=O)O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3O2/c1-3-8-14(9-4-2,13(19)20)11-6-5-7-12(10-11)15(16,17)18/h5-7,10H,3-4,8-9H2,1-2H3,(H,19,20)
InChIKeyIXTQFQKEASHYTP-UHFFFAOYSA-N
XLogP4.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-propyl-2-[3-(trifluoromethyl)phenyl]pentanoic 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-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]butanoic acid;hydrochloride
CID 69068250
2-phenyl-2-[3-(trifluoromethyl)phenoxy]heptanoic acid
CID 23047937
2-[formyl(propyl)amino]-2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 63690009
1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene
CID 158487114
2-amino-2,3-dimethyl-3-[3-(trifluoromethyl)phenyl]butanoic acid
CID 115050963
4-amino-3,4-dimethyl-3-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 66090950
4-amino-3-methyl-3-[3-(trifluoromethyl)phenyl]hexanoic acid
CID 66096075
2-ethyl-5,5,5-trifluoro-2-phenylpentanoic acid
CID 79426124
acetic acid;[3-(trifluoromethyl)phenyl]methanol
CID 71340400
1-ethyl-4-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxylic acid
CID 117223527
N-[3-(trifluoromethyl)phenyl]hexanamide
CID 4609508
octadecyl 3-(trifluoromethyl)benzoate
CID 605694

Frequently Asked Questions

What is the IUPAC name of 2-propyl-2-[3-(trifluoromethyl)phenyl]pentanoic acid?
The IUPAC name of 2-propyl-2-[3-(trifluoromethyl)phenyl]pentanoic acid (CID 63541225) is 2-propyl-2-[3-(trifluoromethyl)phenyl]pentanoic acid.
What is the SMILES notation for 2-propyl-2-[3-(trifluoromethyl)phenyl]pentanoic acid?
The canonical SMILES for 2-propyl-2-[3-(trifluoromethyl)phenyl]pentanoic acid is CCCC(CCC)(C(=O)O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-propyl-2-[3-(trifluoromethyl)phenyl]pentanoic acid?
The InChIKey is IXTQFQKEASHYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3O2/c1-3-8-14(9-4-2,13(19)20)11-6-5-7-12(10-11)15(16,17)18/h5-7,10H,3-4,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2-propyl-2-[3-(trifluoromethyl)phenyl]pentanoic acid?
2-propyl-2-[3-(trifluoromethyl)phenyl]pentanoic acid has a molecular weight of 288.31 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2-[3-(trifluoromethyl)phenyl]pentanoic acid is sourced from PubChem (CID 63541225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).