4-(2,2,2-trifluoroethylimino)but-2-en-2-amine

C6H9F3N2 — CID 149412864

IUPAC4-(2,2,2-trifluoroethylimino)but-2-en-2-amine
SMILESCC(N)=C/C=N/CC(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-5(10)2-3-11-4-6(7,8)9/h2-3H,4,10H2,1H3/b5-2?,11-3+
InChIKeyONHQPARXHSIITR-KSWZXALDSA-N
MW166.15 g/mol
LogP1.48
Rot. Bonds2

About 4-(2,2,2-trifluoroethylimino)but-2-en-2-amine

4-(2,2,2-trifluoroethylimino)but-2-en-2-amine (PubChem CID 149412864) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethylimino)but-2-en-2-amine.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethylimino)but-2-en-2-amine
PubChem CID149412864
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name4-(2,2,2-trifluoroethylimino)but-2-en-2-amine
SMILESCC(N)=C/C=N/CC(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-5(10)2-3-11-4-6(7,8)9/h2-3H,4,10H2,1H3/b5-2?,11-3+
InChIKeyONHQPARXHSIITR-KSWZXALDSA-N
XLogP1.48
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-(2,2,2-trifluoroethylimino)but-2-en-2-amine 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 4-(2,2,2-trifluoroethylimino)but-2-en-2-amine?
The IUPAC name of 4-(2,2,2-trifluoroethylimino)but-2-en-2-amine (CID 149412864) is 4-(2,2,2-trifluoroethylimino)but-2-en-2-amine.
What is the SMILES notation for 4-(2,2,2-trifluoroethylimino)but-2-en-2-amine?
The canonical SMILES for 4-(2,2,2-trifluoroethylimino)but-2-en-2-amine is CC(N)=C/C=N/CC(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoroethylimino)but-2-en-2-amine?
The InChIKey is ONHQPARXHSIITR-KSWZXALDSA-N. The full InChI is InChI=1S/C6H9F3N2/c1-5(10)2-3-11-4-6(7,8)9/h2-3H,4,10H2,1H3/b5-2?,11-3+.
What are the key properties of 4-(2,2,2-trifluoroethylimino)but-2-en-2-amine?
4-(2,2,2-trifluoroethylimino)but-2-en-2-amine has a molecular weight of 166.15 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethylimino)but-2-en-2-amine is sourced from PubChem (CID 149412864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).