2-hydroxy-2-methyl-6-(methylamino)-6-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one

C15H18F3NO3 — CID 169100260

IUPAC2-hydroxy-2-methyl-6-(methylamino)-6-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one
SMILESCNC1(c2cccc(OC(F)(F)F)c2)CCCC(C)(O)C1=O
InChIInChI=1S/C15H18F3NO3/c1-13(21)7-4-8-14(19-2,12(13)20)10-5-3-6-11(9-10)22-15(16,17)18/h3,5-6,9,19,21H,4,7-8H2,1-2H3
InChIKeyXRCNZJMWDVSVCX-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.50
Rot. Bonds3

About 2-hydroxy-2-methyl-6-(methylamino)-6-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one

2-hydroxy-2-methyl-6-(methylamino)-6-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one (PubChem CID 169100260) has the molecular formula C15H18F3NO3 and a molecular weight of 317.31 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-6-(methylamino)-6-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-6-(methylamino)-6-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one
PubChem CID169100260
Molecular FormulaC15H18F3NO3
Molecular Weight317.31 g/mol
Exact Mass317.12
IUPAC Name2-hydroxy-2-methyl-6-(methylamino)-6-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one
SMILESCNC1(c2cccc(OC(F)(F)F)c2)CCCC(C)(O)C1=O
InChIInChI=1S/C15H18F3NO3/c1-13(21)7-4-8-14(19-2,12(13)20)10-5-3-6-11(9-10)22-15(16,17)18/h3,5-6,9,19,21H,4,7-8H2,1-2H3
InChIKeyXRCNZJMWDVSVCX-UHFFFAOYSA-N
XLogP2.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]cyclohexyl]carbamate
CID 139573428
cis-(2R,6S)-2-(2,3-difluorophenyl)-6-hydroxy-6-methyl-2-(methylamino)cyclohexan-1-one
CID 169100283
4-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 63407060
4-[3-(trifluoromethoxy)phenyl]oxepan-4-ol
CID 65079305
(6R)-6-(3-methoxyphenyl)-6-(methylamino)cyclohex-2-en-1-one
CID 138575946
2-(dimethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one;hydrochloride
CID 153349122
(1-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 106829575
(3R)-3-(3-methoxyphenyl)-3-(methylamino)oxan-2-one
CID 153363684
4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxylic acid
CID 23149910
(1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116598545
1,3-bis(4-chlorophenyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one;cyclobutane
CID 145417227
[3-(trifluoromethoxy)phenyl] acetate
CID 20717735

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-6-(methylamino)-6-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-6-(methylamino)-6-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one (CID 169100260) is 2-hydroxy-2-methyl-6-(methylamino)-6-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-6-(methylamino)-6-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-6-(methylamino)-6-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one is CNC1(c2cccc(OC(F)(F)F)c2)CCCC(C)(O)C1=O.
What is the InChIKey of 2-hydroxy-2-methyl-6-(methylamino)-6-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one?
The InChIKey is XRCNZJMWDVSVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO3/c1-13(21)7-4-8-14(19-2,12(13)20)10-5-3-6-11(9-10)22-15(16,17)18/h3,5-6,9,19,21H,4,7-8H2,1-2H3.
What are the key properties of 2-hydroxy-2-methyl-6-(methylamino)-6-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one?
2-hydroxy-2-methyl-6-(methylamino)-6-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one has a molecular weight of 317.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-6-(methylamino)-6-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one is sourced from PubChem (CID 169100260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).