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

C15H17F3O — CID 55095836

IUPAC1-cyclohexyl-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1cccc(C(F)(F)F)c1)C1CCCCC1
InChIInChI=1S/C15H17F3O/c16-15(17,18)13-8-4-5-11(9-13)10-14(19)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10H2
InChIKeyNQVZSUCJEGCZRN-UHFFFAOYSA-N
MW270.29 g/mol
LogP4.40
Rot. Bonds3

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

1-cyclohexyl-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 55095836) has the molecular formula C15H17F3O and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-cyclohexyl-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID55095836
Molecular FormulaC15H17F3O
Molecular Weight270.29 g/mol
Exact Mass270.12
IUPAC Name1-cyclohexyl-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1cccc(C(F)(F)F)c1)C1CCCCC1
InChIInChI=1S/C15H17F3O/c16-15(17,18)13-8-4-5-11(9-13)10-14(19)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10H2
InChIKeyNQVZSUCJEGCZRN-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethylcyclohexyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 65393505
1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 62114725
1-(thian-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 80623249
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 171949810
1-cyclopentyl-2-(3-iodophenyl)ethanone
CID 158596925
1-cyclobutyl-2-(3-fluorophenyl)ethanone
CID 61078433
cyclohexyl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19329676
N-(2-amino-2-oxoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentanecarboxamide
CID 144887966
[2-(cyclooctylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 35564776
carbon dioxide;1-(4-methylcycloheptyl)-2-[3-methyl-4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]ethanone;molecular hydrogen
CID 169204573
2-[3-[cyclopropyl(difluoro)methyl]phenyl]acetic acid
CID 116992787
1-cyclopropyl-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 103455718

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-cyclohexyl-2-[3-(trifluoromethyl)phenyl]ethanone (CID 55095836) is 1-cyclohexyl-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-cyclohexyl-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-cyclohexyl-2-[3-(trifluoromethyl)phenyl]ethanone is O=C(Cc1cccc(C(F)(F)F)c1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is NQVZSUCJEGCZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O/c16-15(17,18)13-8-4-5-11(9-13)10-14(19)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10H2.
What are the key properties of 1-cyclohexyl-2-[3-(trifluoromethyl)phenyl]ethanone?
1-cyclohexyl-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 270.29 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 55095836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).