1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanone

C14H15F3O — CID 62114725

IUPAC1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)C1CCCC1
InChIInChI=1S/C14H15F3O/c15-14(16,17)12-7-5-10(6-8-12)9-13(18)11-3-1-2-4-11/h5-8,11H,1-4,9H2
InChIKeyQISOLUJTHWDKPO-UHFFFAOYSA-N
MW256.27 g/mol
LogP4.01
Rot. Bonds3

About 1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanone

1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 62114725) has the molecular formula C14H15F3O and a molecular weight of 256.27 g/mol. Its IUPAC name is 1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID62114725
Molecular FormulaC14H15F3O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)C1CCCC1
InChIInChI=1S/C14H15F3O/c15-14(16,17)12-7-5-10(6-8-12)9-13(18)11-3-1-2-4-11/h5-8,11H,1-4,9H2
InChIKeyQISOLUJTHWDKPO-UHFFFAOYSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-tert-butylphenyl)-1-cycloheptylethanone
CID 65399375
1-[4-(aminomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116592401
1-cyclohexyl-2-[3-(trifluoromethyl)phenyl]ethanone
CID 55095836
1-(1,1-dioxothiolan-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 64904975
1-cyclopentyl-2-pyridin-4-ylethanone
CID 62551395
cyclohexyl 2-[4-(trifluoromethyl)phenyl]acetate
CID 52537150
1-cycloheptyl-2-(4-methylphenyl)ethanone
CID 62589073
2-(4-aminophenyl)-1-cyclohexylethanone
CID 116549419
2-(4-chlorophenyl)-1-cycloheptylethanone
CID 62588703
1-cyclooctyl-2-(4-methylphenyl)ethanone
CID 65018872
N-(2-hydroxycyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62366302
1-cyclobutyl-2-(4-methylphenyl)ethanone
CID 61080102

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanone (CID 62114725) is 1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanone is O=C(Cc1ccc(C(F)(F)F)cc1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is QISOLUJTHWDKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O/c15-14(16,17)12-7-5-10(6-8-12)9-13(18)11-3-1-2-4-11/h5-8,11H,1-4,9H2.
What are the key properties of 1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanone?
1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 256.27 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 62114725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).