2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one

C9H14F3NO — CID 60891590

IUPAC2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one
SMILESCN(CC(F)(F)F)C1CCCCC1=O
InChIInChI=1S/C9H14F3NO/c1-13(6-9(10,11)12)7-4-2-3-5-8(7)14/h7H,2-6H2,1H3
InChIKeyQJGPLWMXNSSJHE-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.99
Rot. Bonds2

About 2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one

2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one (PubChem CID 60891590) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one
PubChem CID60891590
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one
SMILESCN(CC(F)(F)F)C1CCCCC1=O
InChIInChI=1S/C9H14F3NO/c1-13(6-9(10,11)12)7-4-2-3-5-8(7)14/h7H,2-6H2,1H3
InChIKeyQJGPLWMXNSSJHE-UHFFFAOYSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Dimethylamino)cyclohexan-1-one
CID 138887
2-(Diethylamino)cyclohexan-1-one
CID 13085448
4-(3,3-Difluoropyrrolidin-1-yl)cyclohexan-1-one
CID 68003449
4-(3,3-Difluoroazetidin-1-yl)cyclohexanone
CID 89330353
1-(1-Ethyl-4,4-difluoropyrrolidin-2-yl)ethanone
CID 89682396
1-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]ethanone
CID 89694527
1-[(2S)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]ethanone
CID 89694653
2,2,2-Trifluoro-1-(1-propylpiperidin-2-yl)ethanone
CID 91251285
(2S)-4,4-difluoro-1-methylpiperidine-2-carbonyl fluoride
CID 134570791
3-[Butyl(ethyl)amino]-6,6,6-trifluorohexan-2-one;ethane
CID 144100194
Ethane;6,6,6-trifluoro-3-piperidin-1-ylhexan-2-one
CID 144100252
1-(4,4-Difluoro-1-propan-2-ylpyrrolidin-2-yl)ethanone
CID 156234654

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one (CID 60891590) is 2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one is CN(CC(F)(F)F)C1CCCCC1=O.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one?
The InChIKey is QJGPLWMXNSSJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-13(6-9(10,11)12)7-4-2-3-5-8(7)14/h7H,2-6H2,1H3.
What are the key properties of 2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one?
2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one has a molecular weight of 209.21 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one is sourced from PubChem (CID 60891590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).