N-butyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide

C13H22F3NO — CID 78868724

IUPACN-butyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1CCCCC1
InChIInChI=1S/C13H22F3NO/c1-2-3-9-17(10-13(14,15)16)12(18)11-7-5-4-6-8-11/h11H,2-10H2,1H3
InChIKeyPUJSGUDTTLPLTN-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.76
Rot. Bonds5

About N-butyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide

N-butyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide (PubChem CID 78868724) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is N-butyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-butyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
PubChem CID78868724
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC NameN-butyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1CCCCC1
InChIInChI=1S/C13H22F3NO/c1-2-3-9-17(10-13(14,15)16)12(18)11-7-5-4-6-8-11/h11H,2-10H2,1H3
InChIKeyPUJSGUDTTLPLTN-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

Analyze N-butyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide?
The IUPAC name of N-butyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide (CID 78868724) is N-butyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-butyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide?
The canonical SMILES for N-butyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide is CCCCN(CC(F)(F)F)C(=O)C1CCCCC1.
What is the InChIKey of N-butyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide?
The InChIKey is PUJSGUDTTLPLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-2-3-9-17(10-13(14,15)16)12(18)11-7-5-4-6-8-11/h11H,2-10H2,1H3.
What are the key properties of N-butyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide?
N-butyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide 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 N-butyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide is sourced from PubChem (CID 78868724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).