(1-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone

C15H17F3O2 — CID 106829575

IUPAC(1-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
SMILESCC1(C(=O)c2cccc(OC(F)(F)F)c2)CCCCC1
InChIInChI=1S/C15H17F3O2/c1-14(8-3-2-4-9-14)13(19)11-6-5-7-12(10-11)20-15(16,17)18/h5-7,10H,2-4,8-9H2,1H3
InChIKeyRYVICNFGNWEIHJ-UHFFFAOYSA-N
MW286.29 g/mol
LogP4.74
Rot. Bonds3

About (1-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone

(1-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone (PubChem CID 106829575) has the molecular formula C15H17F3O2 and a molecular weight of 286.29 g/mol. Its IUPAC name is (1-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(1-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
PubChem CID106829575
Molecular FormulaC15H17F3O2
Molecular Weight286.29 g/mol
Exact Mass286.12
IUPAC Name(1-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
SMILESCC1(C(=O)c2cccc(OC(F)(F)F)c2)CCCCC1
InChIInChI=1S/C15H17F3O2/c1-14(8-3-2-4-9-14)13(19)11-6-5-7-12(10-11)20-15(16,17)18/h5-7,10H,2-4,8-9H2,1H3
InChIKeyRYVICNFGNWEIHJ-UHFFFAOYSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116598545
(4-aminooxan-4-yl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116604699
(4-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 63409770
2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one
CID 116560235
3-(trifluoromethoxy)benzamide;hydrochloride
CID 66971456
3-[3-(trifluoromethoxy)benzoyl]cyclohexan-1-one
CID 107104941
2-cyclohexyl-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 114971407
(2-aminocyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116579967
2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 114971356
3-ethyl-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]pentan-1-one
CID 103458432
(4-amino-3-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116554006
4-hydroxy-1-[3-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid
CID 120528203

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (1-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone (CID 106829575) is (1-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (1-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (1-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone is CC1(C(=O)c2cccc(OC(F)(F)F)c2)CCCCC1.
What is the InChIKey of (1-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone?
The InChIKey is RYVICNFGNWEIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O2/c1-14(8-3-2-4-9-14)13(19)11-6-5-7-12(10-11)20-15(16,17)18/h5-7,10H,2-4,8-9H2,1H3.
What are the key properties of (1-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone?
(1-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone has a molecular weight of 286.29 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 106829575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).