(E)-3-amino-2-(difluoromethyl)but-2-enimidoyl fluoride

C5H7F3N2 — CID 146392981

IUPAC(E)-3-amino-2-(difluoromethyl)but-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C(=C(/C)N)C(F)F
InChIInChI=1S/C5H7F3N2/c1-2(9)3(4(6)7)5(8)10/h4,10H,9H2,1H3/b3-2-,10-5-
InChIKeyHGJZHSXTIZSXMO-LGCJXHEPSA-N
MW152.12 g/mol
LogP1.43
Rot. Bonds2

About (E)-3-amino-2-(difluoromethyl)but-2-enimidoyl fluoride

(E)-3-amino-2-(difluoromethyl)but-2-enimidoyl fluoride (PubChem CID 146392981) has the molecular formula C5H7F3N2 and a molecular weight of 152.12 g/mol. Its IUPAC name is (E)-3-amino-2-(difluoromethyl)but-2-enimidoyl fluoride.

Molecular Properties

Compound Name(E)-3-amino-2-(difluoromethyl)but-2-enimidoyl fluoride
PubChem CID146392981
Molecular FormulaC5H7F3N2
Molecular Weight152.12 g/mol
Exact Mass152.06
IUPAC Name(E)-3-amino-2-(difluoromethyl)but-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C(=C(/C)N)C(F)F
InChIInChI=1S/C5H7F3N2/c1-2(9)3(4(6)7)5(8)10/h4,10H,9H2,1H3/b3-2-,10-5-
InChIKeyHGJZHSXTIZSXMO-LGCJXHEPSA-N
XLogP1.43
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-amino-2-(difluoromethyl)but-2-enimidoyl fluoride 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 (E)-3-amino-2-(difluoromethyl)but-2-enimidoyl fluoride?
The IUPAC name of (E)-3-amino-2-(difluoromethyl)but-2-enimidoyl fluoride (CID 146392981) is (E)-3-amino-2-(difluoromethyl)but-2-enimidoyl fluoride.
What is the SMILES notation for (E)-3-amino-2-(difluoromethyl)but-2-enimidoyl fluoride?
The canonical SMILES for (E)-3-amino-2-(difluoromethyl)but-2-enimidoyl fluoride is [H]/N=C(F)/C(=C(/C)N)C(F)F.
What is the InChIKey of (E)-3-amino-2-(difluoromethyl)but-2-enimidoyl fluoride?
The InChIKey is HGJZHSXTIZSXMO-LGCJXHEPSA-N. The full InChI is InChI=1S/C5H7F3N2/c1-2(9)3(4(6)7)5(8)10/h4,10H,9H2,1H3/b3-2-,10-5-.
What are the key properties of (E)-3-amino-2-(difluoromethyl)but-2-enimidoyl fluoride?
(E)-3-amino-2-(difluoromethyl)but-2-enimidoyl fluoride has a molecular weight of 152.12 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-2-(difluoromethyl)but-2-enimidoyl fluoride is sourced from PubChem (CID 146392981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).