3-cyclohexyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide

C13H22F3NO — CID 78858696

IUPAC3-cyclohexyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCN(CC(F)(F)F)C(=O)CCC1CCCCC1
InChIInChI=1S/C13H22F3NO/c1-2-17(10-13(14,15)16)12(18)9-8-11-6-4-3-5-7-11/h11H,2-10H2,1H3
InChIKeyPMHXYUSLYQAYED-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.76
Rot. Bonds5

About 3-cyclohexyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide

3-cyclohexyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 78858696) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-cyclohexyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID78858696
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name3-cyclohexyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCN(CC(F)(F)F)C(=O)CCC1CCCCC1
InChIInChI=1S/C13H22F3NO/c1-2-17(10-13(14,15)16)12(18)9-8-11-6-4-3-5-7-11/h11H,2-10H2,1H3
InChIKeyPMHXYUSLYQAYED-UHFFFAOYSA-N
XLogP3.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-cyclohexyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide (CID 78858696) is 3-cyclohexyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide is CCN(CC(F)(F)F)C(=O)CCC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is PMHXYUSLYQAYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-2-17(10-13(14,15)16)12(18)9-8-11-6-4-3-5-7-11/h11H,2-10H2,1H3.
What are the key properties of 3-cyclohexyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide?
3-cyclohexyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 265.32 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 78858696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).