2-cyclohexyl-1-(3,4,5-trifluorophenyl)ethanone

C14H15F3O — CID 62620273

IUPAC2-cyclohexyl-1-(3,4,5-trifluorophenyl)ethanone
SMILESO=C(CC1CCCCC1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H15F3O/c15-11-7-10(8-12(16)14(11)17)13(18)6-9-4-2-1-3-5-9/h7-9H,1-6H2
InChIKeyZPIDBPHOCRHZMG-UHFFFAOYSA-N
MW256.27 g/mol
LogP4.26
Rot. Bonds3

About 2-cyclohexyl-1-(3,4,5-trifluorophenyl)ethanone

2-cyclohexyl-1-(3,4,5-trifluorophenyl)ethanone (PubChem CID 62620273) has the molecular formula C14H15F3O and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3,4,5-trifluorophenyl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(3,4,5-trifluorophenyl)ethanone
PubChem CID62620273
Molecular FormulaC14H15F3O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name2-cyclohexyl-1-(3,4,5-trifluorophenyl)ethanone
SMILESO=C(CC1CCCCC1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H15F3O/c15-11-7-10(8-12(16)14(11)17)13(18)6-9-4-2-1-3-5-9/h7-9H,1-6H2
InChIKeyZPIDBPHOCRHZMG-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone
CID 160549823
2-cycloheptyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone
CID 107291304
2-cyclohexyl-1-(4-fluorophenyl)ethanone
CID 12505091
2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone
CID 55096170
2-cyclohexyl-1-(2,4,6-trifluorophenyl)ethanone
CID 43338505
2-cyclohexyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 114967621
2-cycloheptyl-1-(3,5-dimethoxyphenyl)ethanone
CID 115785355
2-cycloheptyl-1-(2,4-difluorophenyl)ethanone
CID 114457285
2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 114969279
1-(4-bromo-2,6-difluorophenyl)-2-cyclopentylethanone
CID 114969301
2-cycloheptyl-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 115794245
2-[4-[2-oxo-2-(3,4,5-trihydroxyphenyl)ethyl]cyclohexyl]-1-(3,4,5-trihydroxyphenyl)ethanone
CID 22895321

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3,4,5-trifluorophenyl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(3,4,5-trifluorophenyl)ethanone (CID 62620273) is 2-cyclohexyl-1-(3,4,5-trifluorophenyl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(3,4,5-trifluorophenyl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(3,4,5-trifluorophenyl)ethanone is O=C(CC1CCCCC1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-cyclohexyl-1-(3,4,5-trifluorophenyl)ethanone?
The InChIKey is ZPIDBPHOCRHZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O/c15-11-7-10(8-12(16)14(11)17)13(18)6-9-4-2-1-3-5-9/h7-9H,1-6H2.
What are the key properties of 2-cyclohexyl-1-(3,4,5-trifluorophenyl)ethanone?
2-cyclohexyl-1-(3,4,5-trifluorophenyl)ethanone has a molecular weight of 256.27 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(3,4,5-trifluorophenyl)ethanone is sourced from PubChem (CID 62620273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).