N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine

C5H7F3N2 — CID 143966920

IUPACN-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine
SMILESC=C/C(=N\NC)C(F)(F)F
InChIInChI=1S/C5H7F3N2/c1-3-4(10-9-2)5(6,7)8/h3,9H,1H2,2H3/b10-4+
InChIKeyWQQQLBRCIJIONZ-ONNFQVAWSA-N
MW152.12 g/mol
LogP1.31
Rot. Bonds2

About N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine

N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine (PubChem CID 143966920) has the molecular formula C5H7F3N2 and a molecular weight of 152.12 g/mol. Its IUPAC name is N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine.

Molecular Properties

Compound NameN-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine
PubChem CID143966920
Molecular FormulaC5H7F3N2
Molecular Weight152.12 g/mol
Exact Mass152.06
IUPAC NameN-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine
SMILESC=C/C(=N\NC)C(F)(F)F
InChIInChI=1S/C5H7F3N2/c1-3-4(10-9-2)5(6,7)8/h3,9H,1H2,2H3/b10-4+
InChIKeyWQQQLBRCIJIONZ-ONNFQVAWSA-N
XLogP1.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine 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-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine?
The IUPAC name of N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine (CID 143966920) is N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine.
What is the SMILES notation for N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine?
The canonical SMILES for N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine is C=C/C(=N\NC)C(F)(F)F.
What is the InChIKey of N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine?
The InChIKey is WQQQLBRCIJIONZ-ONNFQVAWSA-N. The full InChI is InChI=1S/C5H7F3N2/c1-3-4(10-9-2)5(6,7)8/h3,9H,1H2,2H3/b10-4+.
What are the key properties of N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine?
N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine has a molecular weight of 152.12 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine is sourced from PubChem (CID 143966920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).