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

C15H17F3O2 — CID 63409770

IUPAC(4-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
SMILESCC1CCC(C(=O)c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C15H17F3O2/c1-10-5-7-11(8-6-10)14(19)12-3-2-4-13(9-12)20-15(16,17)18/h2-4,9-11H,5-8H2,1H3
InChIKeyYFGFXHKXGDKWDK-UHFFFAOYSA-N
MW286.29 g/mol
LogP4.59
Rot. Bonds3

About (4-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone

(4-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone (PubChem CID 63409770) has the molecular formula C15H17F3O2 and a molecular weight of 286.29 g/mol. Its IUPAC name is (4-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(4-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
PubChem CID63409770
Molecular FormulaC15H17F3O2
Molecular Weight286.29 g/mol
Exact Mass286.12
IUPAC Name(4-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
SMILESCC1CCC(C(=O)c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C15H17F3O2/c1-10-5-7-11(8-6-10)14(19)12-3-2-4-13(9-12)20-15(16,17)18/h2-4,9-11H,5-8H2,1H3
InChIKeyYFGFXHKXGDKWDK-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylcyclohexyl)-(3-propoxyphenyl)methanone
CID 114975149
3-[3-(trifluoromethoxy)benzoyl]cyclohexan-1-one
CID 107104941
cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
(2-aminocyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116579967
(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-[3-(trifluoromethoxy)phenyl]methanone
CID 171949229
2-cyclopropyl-2-methoxy-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 116709170
(4-fluorophenyl)-[1-[3-(trifluoromethoxy)benzoyl]piperidin-4-yl]methanone
CID 10046202
(1-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 106829575
2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one
CID 116560235
2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 114971356
3-(trifluoromethoxy)benzamide;hydrochloride
CID 66971456
1,4-diazabicyclo[2.2.2]octan-2-yl-[3-(trifluoromethoxy)phenyl]methanone
CID 79960181

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (4-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone (CID 63409770) is (4-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (4-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (4-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone is CC1CCC(C(=O)c2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of (4-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone?
The InChIKey is YFGFXHKXGDKWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O2/c1-10-5-7-11(8-6-10)14(19)12-3-2-4-13(9-12)20-15(16,17)18/h2-4,9-11H,5-8H2,1H3.
What are the key properties of (4-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone?
(4-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone has a molecular weight of 286.29 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 63409770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).