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

C11H18F3NO — CID 104750088

IUPAC1-cyclohexyl-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCN(CC(=O)C1CCCCC1)CC(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-15(8-11(12,13)14)7-10(16)9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyBQEQUAZBZZETQM-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.63
Rot. Bonds4

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

1-cyclohexyl-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone (PubChem CID 104750088) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-cyclohexyl-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
PubChem CID104750088
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name1-cyclohexyl-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCN(CC(=O)C1CCCCC1)CC(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-15(8-11(12,13)14)7-10(16)9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyBQEQUAZBZZETQM-UHFFFAOYSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
The IUPAC name of 1-cyclohexyl-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone (CID 104750088) is 1-cyclohexyl-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone.
What is the SMILES notation for 1-cyclohexyl-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
The canonical SMILES for 1-cyclohexyl-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone is CN(CC(=O)C1CCCCC1)CC(F)(F)F.
What is the InChIKey of 1-cyclohexyl-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
The InChIKey is BQEQUAZBZZETQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-15(8-11(12,13)14)7-10(16)9-5-3-2-4-6-9/h9H,2-8H2,1H3.
What are the key properties of 1-cyclohexyl-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
1-cyclohexyl-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone has a molecular weight of 237.26 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone is sourced from PubChem (CID 104750088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).