N-[3-(trifluoromethyl)cyclohexyl]but-2-enamide

C11H16F3NO — CID 112727076

IUPACN-[3-(trifluoromethyl)cyclohexyl]but-2-enamide
SMILESCC=CC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H16F3NO/c1-2-4-10(16)15-9-6-3-5-8(7-9)11(12,13)14/h2,4,8-9H,3,5-7H2,1H3,(H,15,16)
InChIKeyYBHOJZQGTOYUHC-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.80
Rot. Bonds2

About N-[3-(trifluoromethyl)cyclohexyl]but-2-enamide

N-[3-(trifluoromethyl)cyclohexyl]but-2-enamide (PubChem CID 112727076) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)cyclohexyl]but-2-enamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)cyclohexyl]but-2-enamide
PubChem CID112727076
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC NameN-[3-(trifluoromethyl)cyclohexyl]but-2-enamide
SMILESCC=CC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H16F3NO/c1-2-4-10(16)15-9-6-3-5-8(7-9)11(12,13)14/h2,4,8-9H,3,5-7H2,1H3,(H,15,16)
InChIKeyYBHOJZQGTOYUHC-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-(trifluoromethyl)cyclohexyl]but-2-enamide 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-[3-(trifluoromethyl)cyclohexyl]but-2-enamide?
The IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]but-2-enamide (CID 112727076) is N-[3-(trifluoromethyl)cyclohexyl]but-2-enamide.
What is the SMILES notation for N-[3-(trifluoromethyl)cyclohexyl]but-2-enamide?
The canonical SMILES for N-[3-(trifluoromethyl)cyclohexyl]but-2-enamide is CC=CC(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[3-(trifluoromethyl)cyclohexyl]but-2-enamide?
The InChIKey is YBHOJZQGTOYUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-2-4-10(16)15-9-6-3-5-8(7-9)11(12,13)14/h2,4,8-9H,3,5-7H2,1H3,(H,15,16).
What are the key properties of N-[3-(trifluoromethyl)cyclohexyl]but-2-enamide?
N-[3-(trifluoromethyl)cyclohexyl]but-2-enamide has a molecular weight of 235.25 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)cyclohexyl]but-2-enamide is sourced from PubChem (CID 112727076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).