2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone

C17H21F3O — CID 105081315

IUPAC2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
SMILESCc1cc(C)cc(CC(=O)C2CCCCC2C(F)(F)F)c1
InChIInChI=1S/C17H21F3O/c1-11-7-12(2)9-13(8-11)10-16(21)14-5-3-4-6-15(14)17(18,19)20/h7-9,14-15H,3-6,10H2,1-2H3
InChIKeyPZOZZIHPGLXZIX-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.78
Rot. Bonds3

About 2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone

2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone (PubChem CID 105081315) has the molecular formula C17H21F3O and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
PubChem CID105081315
Molecular FormulaC17H21F3O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
SMILESCc1cc(C)cc(CC(=O)C2CCCCC2C(F)(F)F)c1
InChIInChI=1S/C17H21F3O/c1-11-7-12(2)9-13(8-11)10-16(21)14-5-3-4-6-15(14)17(18,19)20/h7-9,14-15H,3-6,10H2,1-2H3
InChIKeyPZOZZIHPGLXZIX-UHFFFAOYSA-N
XLogP4.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 104622235
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 105120821
2-(furan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 105125804
2-methylsulfanyl-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 104622247
2-(2-chlorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 104622227
3-cyclopentyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-one
CID 114192888
cis-(1R,2S)-2-(trifluoromethyl)cyclohexane-1-carbonyl fluoride
CID 45081770
N-(2-bromo-4-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583701
1-(2-methylcyclopentyl)-2-(4-methylphenyl)ethanone
CID 107179336
1-cyclopentylsulfanyl-3-(3,5-dimethylphenyl)propan-2-one
CID 65138899
2-(3,5-dimethylphenyl)-1-pyrrolidin-3-ylethanone
CID 116568207
2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 4206055

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone (CID 105081315) is 2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone is Cc1cc(C)cc(CC(=O)C2CCCCC2C(F)(F)F)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone?
The InChIKey is PZOZZIHPGLXZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3O/c1-11-7-12(2)9-13(8-11)10-16(21)14-5-3-4-6-15(14)17(18,19)20/h7-9,14-15H,3-6,10H2,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone?
2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone has a molecular weight of 298.35 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone is sourced from PubChem (CID 105081315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).