(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone

C16H19F3O — CID 105093800

IUPAC(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESCc1cccc(C(=O)C2CCC(C(F)(F)F)CC2)c1C
InChIInChI=1S/C16H19F3O/c1-10-4-3-5-14(11(10)2)15(20)12-6-8-13(9-7-12)16(17,18)19/h3-5,12-13H,6-9H2,1-2H3
InChIKeyQUUIOCSLSIWGHA-UHFFFAOYSA-N
MW284.32 g/mol
LogP4.85
Rot. Bonds2

About (2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone

(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 105093800) has the molecular formula C16H19F3O and a molecular weight of 284.32 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone
PubChem CID105093800
Molecular FormulaC16H19F3O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESCc1cccc(C(=O)C2CCC(C(F)(F)F)CC2)c1C
InChIInChI=1S/C16H19F3O/c1-10-4-3-5-14(11(10)2)15(20)12-6-8-13(9-7-12)16(17,18)19/h3-5,12-13H,6-9H2,1-2H3
InChIKeyQUUIOCSLSIWGHA-UHFFFAOYSA-N
XLogP4.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,3-dimethylphenyl)-(4-ethylcyclohexyl)methanone
CID 65392680
cyclopropyl-(2-fluoro-3-methylphenyl)methanone
CID 70266703
(5-fluoro-2-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105095429
1-cyclopropyl-2-(2,3-dimethylphenyl)ethane-1,2-dione
CID 91616312
(2,3-dimethylphenyl)-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171944535
2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 80710862
3-(2,3-dimethylbenzoyl)cyclohexan-1-one
CID 79625320
(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105091992
1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-one
CID 62548173
(4-ethylcyclohexyl)-(2-methylphenyl)methanone
CID 64774174
cis-(1S,2R)-2-(2,3-dimethylbenzoyl)cyclopentane-1-carboxylic acid
CID 90476274
(2,3-dimethylphenyl)-(2-methylcyclopentyl)methanone
CID 107186866

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of (2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone (CID 105093800) is (2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for (2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for (2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone is Cc1cccc(C(=O)C2CCC(C(F)(F)F)CC2)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is QUUIOCSLSIWGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3O/c1-10-4-3-5-14(11(10)2)15(20)12-6-8-13(9-7-12)16(17,18)19/h3-5,12-13H,6-9H2,1-2H3.
What are the key properties of (2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone?
(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 284.32 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 105093800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).