1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone

C15H17F3O2 — CID 159374732

IUPAC1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone
SMILESCC(=O)C1CCC(c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C15H17F3O2/c1-10(19)11-2-4-12(5-3-11)13-6-8-14(9-7-13)20-15(16,17)18/h6-9,11-12H,2-5H2,1H3
InChIKeyUYFFCLCGGSHDQX-UHFFFAOYSA-N
MW286.29 g/mol
LogP4.45
Rot. Bonds3

About 1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone

1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone (PubChem CID 159374732) has the molecular formula C15H17F3O2 and a molecular weight of 286.29 g/mol. Its IUPAC name is 1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone
PubChem CID159374732
Molecular FormulaC15H17F3O2
Molecular Weight286.29 g/mol
Exact Mass286.12
IUPAC Name1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone
SMILESCC(=O)C1CCC(c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C15H17F3O2/c1-10(19)11-2-4-12(5-3-11)13-6-8-14(9-7-13)20-15(16,17)18/h6-9,11-12H,2-5H2,1H3
InChIKeyUYFFCLCGGSHDQX-UHFFFAOYSA-N
XLogP4.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-hydroxy-4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone
CID 134257812
1-[4-(4-fluorophenyl)cyclohexyl]ethanone
CID 15047101
1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene
CID 23539864
(Z)-3-cyclopropyl-2-(1H-imidazol-5-yl)-1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]but-2-en-1-one;ethane
CID 142308079
4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexan-1-one
CID 67758972
1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695352
(E)-4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]but-2-enoic acid
CID 67844168
1-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 59734847
1-[4-(4-methylcyclohex-2-en-1-yl)cyclohexyl]-4-(trifluoromethoxy)benzene
CID 162570074
1-[4-(3-methylidenepentyl)cyclohexyl]-4-[4-(trifluoromethoxy)phenyl]benzene
CID 22131651
1-(4-ethylcyclohexyl)-4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]benzene
CID 67864736
[4-[4-(trifluoromethoxy)phenyl]cyclohexyl] pent-4-enoate
CID 139645778

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone?
The IUPAC name of 1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone (CID 159374732) is 1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone.
What is the SMILES notation for 1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone?
The canonical SMILES for 1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone is CC(=O)C1CCC(c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone?
The InChIKey is UYFFCLCGGSHDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O2/c1-10(19)11-2-4-12(5-3-11)13-6-8-14(9-7-13)20-15(16,17)18/h6-9,11-12H,2-5H2,1H3.
What are the key properties of 1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone?
1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone has a molecular weight of 286.29 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethanone is sourced from PubChem (CID 159374732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).