2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide

C12H19F3N2O — CID 60642299

IUPAC2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCCC1=CCCCC1)NCC(F)(F)F
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)9-17-11(18)8-16-7-6-10-4-2-1-3-5-10/h4,16H,1-3,5-9H2,(H,17,18)
InChIKeyYDKOXAZODVUSRE-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.14
Rot. Bonds6

About 2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60642299) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60642299
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCCC1=CCCCC1)NCC(F)(F)F
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)9-17-11(18)8-16-7-6-10-4-2-1-3-5-10/h4,16H,1-3,5-9H2,(H,17,18)
InChIKeyYDKOXAZODVUSRE-UHFFFAOYSA-N
XLogP2.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide 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 2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 60642299) is 2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNCCC1=CCCCC1)NCC(F)(F)F.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YDKOXAZODVUSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c13-12(14,15)9-17-11(18)8-16-7-6-10-4-2-1-3-5-10/h4,16H,1-3,5-9H2,(H,17,18).
What are the key properties of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 264.29 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60642299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).