3-cyclopentyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-one

C15H23F3O — CID 114192888

IUPAC3-cyclopentyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-one
SMILESO=C(CCC1CCCC1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H23F3O/c16-15(17,18)13-8-4-3-7-12(13)14(19)10-9-11-5-1-2-6-11/h11-13H,1-10H2
InChIKeyVVIRQDMFXSMUJC-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.89
Rot. Bonds4

About 3-cyclopentyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-one

3-cyclopentyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-one (PubChem CID 114192888) has the molecular formula C15H23F3O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-cyclopentyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-one
PubChem CID114192888
Molecular FormulaC15H23F3O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name3-cyclopentyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-one
SMILESO=C(CCC1CCCC1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H23F3O/c16-15(17,18)13-8-4-3-7-12(13)14(19)10-9-11-5-1-2-6-11/h11-13H,1-10H2
InChIKeyVVIRQDMFXSMUJC-UHFFFAOYSA-N
XLogP4.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methylsulfanyl-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 104622247
cis-(1R,2S)-2-(trifluoromethyl)cyclohexane-1-carbonyl fluoride
CID 45081770
2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 4206055
cyclopropyl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105107408
3-cyclopentyl-1-(2-ethylcyclohexyl)propan-1-one
CID 114973791
2-(3-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 104622235
2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 105081315
2-(furan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 105125804
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107845636
2-(2-chlorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 104622227
cis-methyl (1S,2R)-2-(trifluoromethyl)cyclohexane-1-carboxylate
CID 129381648
(3S,4S)-1-(3-cyclohexylpropanoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950638

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-one (CID 114192888) is 3-cyclopentyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-one is O=C(CCC1CCCC1)C1CCCCC1C(F)(F)F.
What is the InChIKey of 3-cyclopentyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-one?
The InChIKey is VVIRQDMFXSMUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3O/c16-15(17,18)13-8-4-3-7-12(13)14(19)10-9-11-5-1-2-6-11/h11-13H,1-10H2.
What are the key properties of 3-cyclopentyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-one?
3-cyclopentyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-one has a molecular weight of 276.34 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-one is sourced from PubChem (CID 114192888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).