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

C13H22F3NO — CID 104750255

IUPAC1-cyclohexyl-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCCCN(CC(=O)C1CCCCC1)CC(F)(F)F
InChIInChI=1S/C13H22F3NO/c1-2-8-17(10-13(14,15)16)9-12(18)11-6-4-3-5-7-11/h11H,2-10H2,1H3
InChIKeyRCPLJLRMRRUNRH-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.41
Rot. Bonds6

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

1-cyclohexyl-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone (PubChem CID 104750255) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-cyclohexyl-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
PubChem CID104750255
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name1-cyclohexyl-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCCCN(CC(=O)C1CCCCC1)CC(F)(F)F
InChIInChI=1S/C13H22F3NO/c1-2-8-17(10-13(14,15)16)9-12(18)11-6-4-3-5-7-11/h11H,2-10H2,1H3
InChIKeyRCPLJLRMRRUNRH-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone?
The IUPAC name of 1-cyclohexyl-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone (CID 104750255) is 1-cyclohexyl-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone.
What is the SMILES notation for 1-cyclohexyl-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone?
The canonical SMILES for 1-cyclohexyl-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone is CCCN(CC(=O)C1CCCCC1)CC(F)(F)F.
What is the InChIKey of 1-cyclohexyl-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone?
The InChIKey is RCPLJLRMRRUNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-2-8-17(10-13(14,15)16)9-12(18)11-6-4-3-5-7-11/h11H,2-10H2,1H3.
What are the key properties of 1-cyclohexyl-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone?
1-cyclohexyl-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone has a molecular weight of 265.32 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone is sourced from PubChem (CID 104750255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).