(Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine

C6H10F2N2 — CID 162721845

IUPAC(Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine
SMILESC/C(N)=C/C(C)=N/C(F)F
InChIInChI=1S/C6H10F2N2/c1-4(9)3-5(2)10-6(7)8/h3,6H,9H2,1-2H3/b4-3-,10-5+
InChIKeyQGZGNOXOCLEKEK-DXWLQBKVSA-N
MW148.16 g/mol
LogP1.53
Rot. Bonds2

About (Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine

(Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine (PubChem CID 162721845) has the molecular formula C6H10F2N2 and a molecular weight of 148.16 g/mol. Its IUPAC name is (Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine.

Molecular Properties

Compound Name(Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine
PubChem CID162721845
Molecular FormulaC6H10F2N2
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name(Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine
SMILESC/C(N)=C/C(C)=N/C(F)F
InChIInChI=1S/C6H10F2N2/c1-4(9)3-5(2)10-6(7)8/h3,6H,9H2,1-2H3/b4-3-,10-5+
InChIKeyQGZGNOXOCLEKEK-DXWLQBKVSA-N
XLogP1.53
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z,4E)-4-(difluoromethylimino)pent-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 (Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine?
The IUPAC name of (Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine (CID 162721845) is (Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine.
What is the SMILES notation for (Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine?
The canonical SMILES for (Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine is C/C(N)=C/C(C)=N/C(F)F.
What is the InChIKey of (Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine?
The InChIKey is QGZGNOXOCLEKEK-DXWLQBKVSA-N. The full InChI is InChI=1S/C6H10F2N2/c1-4(9)3-5(2)10-6(7)8/h3,6H,9H2,1-2H3/b4-3-,10-5+.
What are the key properties of (Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine?
(Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine has a molecular weight of 148.16 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4E)-4-(difluoromethylimino)pent-2-en-2-amine is sourced from PubChem (CID 162721845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).