(E)-4,4-difluoro-3-methyliminobut-1-ene-1,2-diamine

C5H9F2N3 — CID 156818561

IUPAC(E)-4,4-difluoro-3-methyliminobut-1-ene-1,2-diamine
SMILESC/N=C(C(/N)=C\N)\C(F)F
InChIInChI=1S/C5H9F2N3/c1-10-4(5(6)7)3(9)2-8/h2,5H,8-9H2,1H3/b3-2+,10-4-
InChIKeyKIJWSHORJZFMGZ-VAIMCSMNSA-N
MW149.14 g/mol
LogP0.08
Rot. Bonds2

About (E)-4,4-difluoro-3-methyliminobut-1-ene-1,2-diamine

(E)-4,4-difluoro-3-methyliminobut-1-ene-1,2-diamine (PubChem CID 156818561) has the molecular formula C5H9F2N3 and a molecular weight of 149.14 g/mol. Its IUPAC name is (E)-4,4-difluoro-3-methyliminobut-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-4,4-difluoro-3-methyliminobut-1-ene-1,2-diamine
PubChem CID156818561
Molecular FormulaC5H9F2N3
Molecular Weight149.14 g/mol
Exact Mass149.08
IUPAC Name(E)-4,4-difluoro-3-methyliminobut-1-ene-1,2-diamine
SMILESC/N=C(C(/N)=C\N)\C(F)F
InChIInChI=1S/C5H9F2N3/c1-10-4(5(6)7)3(9)2-8/h2,5H,8-9H2,1H3/b3-2+,10-4-
InChIKeyKIJWSHORJZFMGZ-VAIMCSMNSA-N
XLogP0.08
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-4,4-difluoro-3-methyliminobut-1-ene-1,2-diamine 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)-4,4-difluoro-3-methyliminobut-1-ene-1,2-diamine?
The IUPAC name of (E)-4,4-difluoro-3-methyliminobut-1-ene-1,2-diamine (CID 156818561) is (E)-4,4-difluoro-3-methyliminobut-1-ene-1,2-diamine.
What is the SMILES notation for (E)-4,4-difluoro-3-methyliminobut-1-ene-1,2-diamine?
The canonical SMILES for (E)-4,4-difluoro-3-methyliminobut-1-ene-1,2-diamine is C/N=C(C(/N)=C\N)\C(F)F.
What is the InChIKey of (E)-4,4-difluoro-3-methyliminobut-1-ene-1,2-diamine?
The InChIKey is KIJWSHORJZFMGZ-VAIMCSMNSA-N. The full InChI is InChI=1S/C5H9F2N3/c1-10-4(5(6)7)3(9)2-8/h2,5H,8-9H2,1H3/b3-2+,10-4-.
What are the key properties of (E)-4,4-difluoro-3-methyliminobut-1-ene-1,2-diamine?
(E)-4,4-difluoro-3-methyliminobut-1-ene-1,2-diamine has a molecular weight of 149.14 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4-difluoro-3-methyliminobut-1-ene-1,2-diamine is sourced from PubChem (CID 156818561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).