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

C15H17F3O2 — CID 67957539

IUPAC2-cyclopentyl-2-[4-(trifluoromethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)(c1ccc(C(F)(F)F)cc1)C1CCCC1
InChIInChI=1S/C15H17F3O2/c1-14(13(19)20,10-4-2-3-5-10)11-6-8-12(9-7-11)15(16,17)18/h6-10H,2-5H2,1H3,(H,19,20)
InChIKeyDCMZKSDVWCMCDW-UHFFFAOYSA-N
MW286.29 g/mol
LogP4.24
Rot. Bonds3

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

2-cyclopentyl-2-[4-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 67957539) has the molecular formula C15H17F3O2 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-(trifluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-(trifluoromethyl)phenyl]propanoic acid
PubChem CID67957539
Molecular FormulaC15H17F3O2
Molecular Weight286.29 g/mol
Exact Mass286.12
IUPAC Name2-cyclopentyl-2-[4-(trifluoromethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)(c1ccc(C(F)(F)F)cc1)C1CCCC1
InChIInChI=1S/C15H17F3O2/c1-14(13(19)20,10-4-2-3-5-10)11-6-8-12(9-7-11)15(16,17)18/h6-10H,2-5H2,1H3,(H,19,20)
InChIKeyDCMZKSDVWCMCDW-UHFFFAOYSA-N
XLogP4.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-cyanophenyl)-2-cyclopentylpropanoic acid
CID 91032334
2-cyclopentyl-2-(3,4-dichlorophenyl)propanoic acid
CID 67957962
(2R)-2-cyclopentyl-2-(3-methyl-4-methylsulfonylphenyl)propanoic acid
CID 67191394
2-cyclopropyl-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 83154745
2-cyclopropyl-2-(3-fluorophenyl)propanoic acid
CID 83834060
(2R)-2-cyclopentyl-2-(5-methylthiophen-2-yl)propanoic acid
CID 68974861
4-[N-methyl-4-(trifluoromethyl)anilino]piperidine-1-carboxylic acid
CID 146380644
1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 62114725
(1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-(4-fluorophenyl)propanoate
CID 24758012
2,2-difluoro-3-hydroxy-3-[4-(trifluoromethyl)phenyl]butanoic acid
CID 62397044
2-amino-2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 116558577
2-cyclopropyl-2-(3-hydroxyphenyl)propanoic acid
CID 83833276

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of 2-cyclopentyl-2-[4-(trifluoromethyl)phenyl]propanoic acid (CID 67957539) is 2-cyclopentyl-2-[4-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-cyclopentyl-2-[4-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for 2-cyclopentyl-2-[4-(trifluoromethyl)phenyl]propanoic acid is CC(C(=O)O)(c1ccc(C(F)(F)F)cc1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-[4-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is DCMZKSDVWCMCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O2/c1-14(13(19)20,10-4-2-3-5-10)11-6-8-12(9-7-11)15(16,17)18/h6-10H,2-5H2,1H3,(H,19,20).
What are the key properties of 2-cyclopentyl-2-[4-(trifluoromethyl)phenyl]propanoic acid?
2-cyclopentyl-2-[4-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 286.29 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 67957539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).