(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one

C14H16F3NO — CID 156803398

IUPAC(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one
SMILESCN[C@]1(c2ccc(C(F)(F)F)cc2)CCCCC1=O
InChIInChI=1S/C14H16F3NO/c1-18-13(9-3-2-4-12(13)19)10-5-7-11(8-6-10)14(15,16)17/h5-8,18H,2-4,9H2,1H3/t13-/m0/s1
InChIKeyWAYLLVIKXHXBHU-ZDUSSCGKSA-N
MW271.28 g/mol
LogP3.26
Rot. Bonds2

About (2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one

(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one (PubChem CID 156803398) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is (2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one.

Molecular Properties

Compound Name(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one
PubChem CID156803398
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one
SMILESCN[C@]1(c2ccc(C(F)(F)F)cc2)CCCCC1=O
InChIInChI=1S/C14H16F3NO/c1-18-13(9-3-2-4-12(13)19)10-5-7-11(8-6-10)14(15,16)17/h5-8,18H,2-4,9H2,1H3/t13-/m0/s1
InChIKeyWAYLLVIKXHXBHU-ZDUSSCGKSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-2-phenylcyclohexan-1-one;hydrochloride
CID 18705340
cis-(2S,6R)-2-methoxy-2-methyl-6-(methylamino)-6-[4-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 169100263
2-methyl-2-[4-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 135004378
cis-(2R,6S)-2-(ethylamino)-6-hydroxy-6-methyl-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 169100269
[(1R)-2-oxo-1-[4-(trifluoromethyl)phenyl]cyclohexyl] carbamate
CID 175467808
2-amino-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 139573660
(2R)-2-(2-fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride
CID 171381722
2-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]cyclooctan-1-one
CID 86210946
2-(2-fluoro-4-methylphenyl)-2-(methylamino)cyclohexan-1-one
CID 67474909
(2R)-2-(methylamino)-2-(2-methylphenyl)cyclohexan-1-one;hydrochloride
CID 155970795
(3S)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 134963192
2-(methylamino)-2-(2,3,4,5-tetradeuterio-6-fluorophenyl)cyclohexan-1-one;hydrochloride
CID 172875702

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one?
The IUPAC name of (2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one (CID 156803398) is (2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one.
What is the SMILES notation for (2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one?
The canonical SMILES for (2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one is CN[C@]1(c2ccc(C(F)(F)F)cc2)CCCCC1=O.
What is the InChIKey of (2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one?
The InChIKey is WAYLLVIKXHXBHU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-18-13(9-3-2-4-12(13)19)10-5-7-11(8-6-10)14(15,16)17/h5-8,18H,2-4,9H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one?
(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one has a molecular weight of 271.28 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one is sourced from PubChem (CID 156803398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).