2-(2,4-dichlorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone

C15H15Cl2F3O — CID 105088329

IUPAC2-(2,4-dichlorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H15Cl2F3O/c16-12-6-3-10(13(17)8-12)7-14(21)9-1-4-11(5-2-9)15(18,19)20/h3,6,8-9,11H,1-2,4-5,7H2
InChIKeyVNXWGJINUBXXAQ-UHFFFAOYSA-N
MW339.18 g/mol
LogP5.47
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone

2-(2,4-dichlorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone (PubChem CID 105088329) has the molecular formula C15H15Cl2F3O and a molecular weight of 339.18 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
PubChem CID105088329
Molecular FormulaC15H15Cl2F3O
Molecular Weight339.18 g/mol
Exact Mass338.05
IUPAC Name2-(2,4-dichlorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H15Cl2F3O/c16-12-6-3-10(13(17)8-12)7-14(21)9-1-4-11(5-2-9)15(18,19)20/h3,6,8-9,11H,1-2,4-5,7H2
InChIKeyVNXWGJINUBXXAQ-UHFFFAOYSA-N
XLogP5.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.18
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)ethanone
CID 116557220
2-(4-chloro-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 107890896
2-(2,4-dichlorophenyl)-1-(thiolan-3-yl)ethanone
CID 105088261
2-(2-bromo-4-chlorophenyl)-1-cyclopropylethanone
CID 162682216
2-(2,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanone
CID 113289654
2-(2,4-dichlorophenyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone
CID 114097294
2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 114853673
1-cyclobutyl-2-(2,5-dichlorophenyl)ethanone
CID 65321510
2-(4-chloro-2-fluorophenyl)-1-piperidin-4-ylethanone
CID 114863179
2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 103047938
2-(2,4-dichlorophenyl)-1-(thiolan-2-yl)ethanone
CID 80621705
fluoro 2-(2,4-dichlorophenyl)acetate
CID 144704595

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone (CID 105088329) is 2-(2,4-dichlorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone is O=C(Cc1ccc(Cl)cc1Cl)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone?
The InChIKey is VNXWGJINUBXXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2F3O/c16-12-6-3-10(13(17)8-12)7-14(21)9-1-4-11(5-2-9)15(18,19)20/h3,6,8-9,11H,1-2,4-5,7H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone?
2-(2,4-dichlorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone has a molecular weight of 339.18 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone is sourced from PubChem (CID 105088329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).