1-cyclohexyl-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone

C12H20F3NO — CID 104750881

IUPAC1-cyclohexyl-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone
SMILESCN(CCC(F)(F)F)CC(=O)C1CCCCC1
InChIInChI=1S/C12H20F3NO/c1-16(8-7-12(13,14)15)9-11(17)10-5-3-2-4-6-10/h10H,2-9H2,1H3
InChIKeyMSJSBVRZIZYPGV-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.02
Rot. Bonds5

About 1-cyclohexyl-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone

1-cyclohexyl-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone (PubChem CID 104750881) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-cyclohexyl-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone
PubChem CID104750881
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name1-cyclohexyl-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone
SMILESCN(CCC(F)(F)F)CC(=O)C1CCCCC1
InChIInChI=1S/C12H20F3NO/c1-16(8-7-12(13,14)15)9-11(17)10-5-3-2-4-6-10/h10H,2-9H2,1H3
InChIKeyMSJSBVRZIZYPGV-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2RS,5RS)-2-dimethylaminomethyl-5-trifluoromethyl-cyclohexanone
CID 21705850
2-(4,4-difluorocyclohexyl)-N-methyl-N-(3-methylbutyl)acetamide
CID 129022770
2-(Dimethylamino)-1-(4-fluorocyclohexyl)ethanone
CID 145817772
2-(Dimethylamino)-1-(4-fluorocyclohexyl)-2-methylpropan-1-one
CID 145817775
2-(Dimethylamino)-1-(4-fluorocyclohexyl)-3-methylbutan-1-one
CID 145817776
ethane;1-[(2S,4R)-1-methyl-4-(trifluoromethyl)piperidin-2-yl]ethanone
CID 168976150
1-[(2S,4R)-1-methyl-4-(trifluoromethyl)piperidin-2-yl]ethanone
CID 168976151
(2S)-1-(4,4-difluorocyclohexyl)-4-methyl-2-(propan-2-ylamino)pentan-3-one
CID 171576046
(2S)-1-(4,4-difluorocyclohexyl)-4-methyl-2-[propan-2-yl(propyl)amino]pentan-3-one
CID 171576079
2,2,2-Trifluoro-1-(1-methyl-2-pentylpiperidin-2-yl)ethanone
CID 175542368
2-methyl-1-[(2S,4R)-1-propan-2-yl-4-(trifluoromethyl)piperidin-2-yl]propan-1-one
CID 176816765
2-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
CID 55093483

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone?
The IUPAC name of 1-cyclohexyl-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone (CID 104750881) is 1-cyclohexyl-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone.
What is the SMILES notation for 1-cyclohexyl-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone?
The canonical SMILES for 1-cyclohexyl-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone is CN(CCC(F)(F)F)CC(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone?
The InChIKey is MSJSBVRZIZYPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-16(8-7-12(13,14)15)9-11(17)10-5-3-2-4-6-10/h10H,2-9H2,1H3.
What are the key properties of 1-cyclohexyl-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone?
1-cyclohexyl-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone has a molecular weight of 251.29 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone is sourced from PubChem (CID 104750881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).