2-cyclohexyl-1-[3-(trifluoromethoxy)phenyl]ethanone

C15H17F3O2 — CID 114971407

IUPAC2-cyclohexyl-1-[3-(trifluoromethoxy)phenyl]ethanone
SMILESO=C(CC1CCCCC1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H17F3O2/c16-15(17,18)20-13-8-4-7-12(10-13)14(19)9-11-5-2-1-3-6-11/h4,7-8,10-11H,1-3,5-6,9H2
InChIKeyMEDRHGBZEBYJKP-UHFFFAOYSA-N
MW286.29 g/mol
LogP4.74
Rot. Bonds4

About 2-cyclohexyl-1-[3-(trifluoromethoxy)phenyl]ethanone

2-cyclohexyl-1-[3-(trifluoromethoxy)phenyl]ethanone (PubChem CID 114971407) has the molecular formula C15H17F3O2 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-cyclohexyl-1-[3-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[3-(trifluoromethoxy)phenyl]ethanone
PubChem CID114971407
Molecular FormulaC15H17F3O2
Molecular Weight286.29 g/mol
Exact Mass286.12
IUPAC Name2-cyclohexyl-1-[3-(trifluoromethoxy)phenyl]ethanone
SMILESO=C(CC1CCCCC1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H17F3O2/c16-15(17,18)20-13-8-4-7-12(10-13)14(19)9-11-5-2-1-3-6-11/h4,7-8,10-11H,1-3,5-6,9H2
InChIKeyMEDRHGBZEBYJKP-UHFFFAOYSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 114971356
1-(3-bromophenyl)-2-cyclopentylethanone
CID 62620769
(2-aminocyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116579967
(1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116598545
2-cyclopentyl-1-[2-(trifluoromethoxy)phenyl]ethanone
CID 114970289
1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone
CID 160549823
N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethoxy)benzamide
CID 68777168
2-cyclohexyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 114967621
(4-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 63409770
7-chloro-1-[3-(trifluoromethoxy)phenyl]heptan-1-one
CID 24726789
2-cycloheptyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone
CID 107291304
(1-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 106829575

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[3-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[3-(trifluoromethoxy)phenyl]ethanone (CID 114971407) is 2-cyclohexyl-1-[3-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[3-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[3-(trifluoromethoxy)phenyl]ethanone is O=C(CC1CCCCC1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-cyclohexyl-1-[3-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is MEDRHGBZEBYJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O2/c16-15(17,18)20-13-8-4-7-12(10-13)14(19)9-11-5-2-1-3-6-11/h4,7-8,10-11H,1-3,5-6,9H2.
What are the key properties of 2-cyclohexyl-1-[3-(trifluoromethoxy)phenyl]ethanone?
2-cyclohexyl-1-[3-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 286.29 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[3-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 114971407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).