2-(dimethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one;hydrochloride

C15H19ClF3NO3 — CID 153349122

IUPAC2-(dimethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one;hydrochloride
SMILESCN(C)C1(c2cccc(OC(F)(F)F)c2)CCCC(O)C1=O.Cl
InChIInChI=1S/C15H18F3NO3.ClH/c1-19(2)14(8-4-7-12(20)13(14)21)10-5-3-6-11(9-10)22-15(16,17)18;/h3,5-6,9,12,20H,4,7-8H2,1-2H3;1H
InChIKeyILZGLQJOABCYNO-UHFFFAOYSA-N
MW353.77 g/mol
LogP2.88
Rot. Bonds3

About 2-(dimethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one;hydrochloride

2-(dimethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one;hydrochloride (PubChem CID 153349122) has the molecular formula C15H19ClF3NO3 and a molecular weight of 353.77 g/mol. Its IUPAC name is 2-(dimethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one;hydrochloride
PubChem CID153349122
Molecular FormulaC15H19ClF3NO3
Molecular Weight353.77 g/mol
Exact Mass353.10
IUPAC Name2-(dimethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one;hydrochloride
SMILESCN(C)C1(c2cccc(OC(F)(F)F)c2)CCCC(O)C1=O.Cl
InChIInChI=1S/C15H18F3NO3.ClH/c1-19(2)14(8-4-7-12(20)13(14)21)10-5-3-6-11(9-10)22-15(16,17)18;/h3,5-6,9,12,20H,4,7-8H2,1-2H3;1H
InChIKeyILZGLQJOABCYNO-UHFFFAOYSA-N
XLogP2.88
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one
CID 155757621
2-amino-2-[3-chloro-5-(trifluoromethoxy)phenyl]-6-hydroxycyclohexan-1-one
CID 139559138
4-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 63407060
2-amino-6-hydroxy-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one;hydrochloride
CID 139559114
2-hydroxy-2-methyl-6-(methylamino)-6-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one
CID 169100260
4-[3-(trifluoromethoxy)phenyl]oxepan-4-ol
CID 65079305
N-cyclopentyl-N-methyl-3-(trifluoromethoxy)benzenesulfonamide
CID 112812725
tert-butyl N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]cyclohexyl]carbamate
CID 139573428
trans-(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 91657247
4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxylic acid
CID 23149910
2-amino-2-[2-fluoro-3-(trifluoromethoxy)phenyl]-6-hydroxycyclohexan-1-one;methanesulfonic acid
CID 139559032
1,3-bis(4-chlorophenyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one;cyclobutane
CID 145417227

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one;hydrochloride?
The IUPAC name of 2-(dimethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one;hydrochloride (CID 153349122) is 2-(dimethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one;hydrochloride?
The canonical SMILES for 2-(dimethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one;hydrochloride is CN(C)C1(c2cccc(OC(F)(F)F)c2)CCCC(O)C1=O.Cl.
What is the InChIKey of 2-(dimethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one;hydrochloride?
The InChIKey is ILZGLQJOABCYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO3.ClH/c1-19(2)14(8-4-7-12(20)13(14)21)10-5-3-6-11(9-10)22-15(16,17)18;/h3,5-6,9,12,20H,4,7-8H2,1-2H3;1H.
What are the key properties of 2-(dimethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one;hydrochloride?
2-(dimethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one;hydrochloride has a molecular weight of 353.77 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one;hydrochloride is sourced from PubChem (CID 153349122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).