cyclohexyl-[4-(trifluoromethoxy)phenyl]methanone

C14H15F3O2 — CID 114962182

IUPACcyclohexyl-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)C1CCCCC1
InChIInChI=1S/C14H15F3O2/c15-14(16,17)19-12-8-6-11(7-9-12)13(18)10-4-2-1-3-5-10/h6-10H,1-5H2
InChIKeyRPMKLRWSORFFNF-UHFFFAOYSA-N
MW272.27 g/mol
LogP4.35
Rot. Bonds3

About cyclohexyl-[4-(trifluoromethoxy)phenyl]methanone

cyclohexyl-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 114962182) has the molecular formula C14H15F3O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is cyclohexyl-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID114962182
Molecular FormulaC14H15F3O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Namecyclohexyl-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)C1CCCCC1
InChIInChI=1S/C14H15F3O2/c15-14(16,17)19-12-8-6-11(7-9-12)13(18)10-4-2-1-3-5-10/h6-10H,1-5H2
InChIKeyRPMKLRWSORFFNF-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

piperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 23081458
(3,5-dimethylcyclohexyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 114975308
N-cyclohexyl-4-(trifluoromethoxy)benzamide
CID 53243010
N-cycloheptyl-N-methyl-4-(trifluoromethoxy)benzamide
CID 55469129
tert-butyl formate;piperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 174725134
[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 134093506
piperidin-3-yl-[6-(trifluoromethoxy)naphthalen-2-yl]methanone
CID 177314079
cyclobutyl-[4-(difluoromethoxy)phenyl]methanone
CID 115811389
tert-butyl 3-[4-(trifluoromethoxy)benzoyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171949186
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
[2-(cyclohexylamino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 7796501
[(1S,5R)-8-azabicyclo[3.2.1]octan-8-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 175967606

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of cyclohexyl-[4-(trifluoromethoxy)phenyl]methanone (CID 114962182) is cyclohexyl-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for cyclohexyl-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for cyclohexyl-[4-(trifluoromethoxy)phenyl]methanone is O=C(c1ccc(OC(F)(F)F)cc1)C1CCCCC1.
What is the InChIKey of cyclohexyl-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is RPMKLRWSORFFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O2/c15-14(16,17)19-12-8-6-11(7-9-12)13(18)10-4-2-1-3-5-10/h6-10H,1-5H2.
What are the key properties of cyclohexyl-[4-(trifluoromethoxy)phenyl]methanone?
cyclohexyl-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 272.27 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 114962182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).