(3-ethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone

C16H19F3O — CID 105120186

IUPAC(3-ethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESCCc1cccc(C(=O)C2CCCCC2C(F)(F)F)c1
InChIInChI=1S/C16H19F3O/c1-2-11-6-5-7-12(10-11)15(20)13-8-3-4-9-14(13)16(17,18)19/h5-7,10,13-14H,2-4,8-9H2,1H3
InChIKeyFQCDVAUODSYMMA-UHFFFAOYSA-N
MW284.32 g/mol
LogP4.80
Rot. Bonds3

About (3-ethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone

(3-ethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 105120186) has the molecular formula C16H19F3O and a molecular weight of 284.32 g/mol. Its IUPAC name is (3-ethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(3-ethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
PubChem CID105120186
Molecular FormulaC16H19F3O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name(3-ethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESCCc1cccc(C(=O)C2CCCCC2C(F)(F)F)c1
InChIInChI=1S/C16H19F3O/c1-2-11-6-5-7-12(10-11)15(20)13-8-3-4-9-14(13)16(17,18)19/h5-7,10,13-14H,2-4,8-9H2,1H3
InChIKeyFQCDVAUODSYMMA-UHFFFAOYSA-N
XLogP4.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

furan-2-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105099254
(3-ethylphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171944460
pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105081172
(4-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105078684
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylphenyl)methanone
CID 115788864
2-(3-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 104622235
(4-amino-3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 104622846
(3-aminocyclohexyl)-(3-ethylphenyl)methanone
CID 116568892
3-ethylbenzoic acid;propane
CID 177324794
(3-aminocyclopentyl)-(3-ethylphenyl)methanone
CID 116587204
(3-ethylphenyl)-(5-methyloxolan-2-yl)methanone
CID 115788879
N-cyclohexyl-3-ethyl-N-methylbenzamide
CID 70929086

Frequently Asked Questions

What is the IUPAC name of (3-ethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of (3-ethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone (CID 105120186) is (3-ethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for (3-ethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for (3-ethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone is CCc1cccc(C(=O)C2CCCCC2C(F)(F)F)c1.
What is the InChIKey of (3-ethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is FQCDVAUODSYMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3O/c1-2-11-6-5-7-12(10-11)15(20)13-8-3-4-9-14(13)16(17,18)19/h5-7,10,13-14H,2-4,8-9H2,1H3.
What are the key properties of (3-ethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone?
(3-ethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 284.32 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 105120186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).