1-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]propan-1-one

C15H17F3O — CID 150328883

IUPAC1-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]propan-1-one
SMILESCCC(=O)C1CCCC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3O/c1-2-14(19)13-5-3-4-12(13)10-6-8-11(9-7-10)15(16,17)18/h6-9,12-13H,2-5H2,1H3
InChIKeyGPFLYFRSQIMUKS-UHFFFAOYSA-N
MW270.29 g/mol
LogP4.57
Rot. Bonds3

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

1-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]propan-1-one (PubChem CID 150328883) has the molecular formula C15H17F3O and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]propan-1-one.

Molecular Properties

Compound Name1-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]propan-1-one
PubChem CID150328883
Molecular FormulaC15H17F3O
Molecular Weight270.29 g/mol
Exact Mass270.12
IUPAC Name1-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]propan-1-one
SMILESCCC(=O)C1CCCC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3O/c1-2-14(19)13-5-3-4-12(13)10-6-8-11(9-7-10)15(16,17)18/h6-9,12-13H,2-5H2,1H3
InChIKeyGPFLYFRSQIMUKS-UHFFFAOYSA-N
XLogP4.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]propan-1-one 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-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 81007862
1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone
CID 93025354
(2R)-N-propyl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 130471039
1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene
CID 11063442
trans-(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile
CID 134967319
methoxymethylazanide;2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 159697418
N-[[2-[4-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine
CID 81028151
2-methyl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 64908369
2-oxo-3-[2-[4-(trifluoromethyl)phenyl]cyclobutyl]propanoic acid
CID 66867722
1-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 134162476
2-ethyl-3-[4-(trifluoromethyl)phenyl]cyclobutan-1-one
CID 81416633
(3aS,4R,7aS)-2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 154523475

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]propan-1-one?
The IUPAC name of 1-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]propan-1-one (CID 150328883) is 1-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]propan-1-one.
What is the SMILES notation for 1-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]propan-1-one?
The canonical SMILES for 1-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]propan-1-one is CCC(=O)C1CCCC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]propan-1-one?
The InChIKey is GPFLYFRSQIMUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O/c1-2-14(19)13-5-3-4-12(13)10-6-8-11(9-7-10)15(16,17)18/h6-9,12-13H,2-5H2,1H3.
What are the key properties of 1-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]propan-1-one?
1-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]propan-1-one has a molecular weight of 270.29 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]propan-1-one is sourced from PubChem (CID 150328883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).