(Z)-4,4-difluoro-3-methyliminobut-1-en-1-amine

C5H8F2N2 — CID 156890367

IUPAC(Z)-4,4-difluoro-3-methyliminobut-1-en-1-amine
SMILESC/N=C(/C=C\N)C(F)F
InChIInChI=1S/C5H8F2N2/c1-9-4(2-3-8)5(6)7/h2-3,5H,8H2,1H3/b3-2-,9-4-
InChIKeyKKTILPRZBKUCEC-UARZHTBLSA-N
MW134.13 g/mol
LogP0.79
Rot. Bonds2

About (Z)-4,4-difluoro-3-methyliminobut-1-en-1-amine

(Z)-4,4-difluoro-3-methyliminobut-1-en-1-amine (PubChem CID 156890367) has the molecular formula C5H8F2N2 and a molecular weight of 134.13 g/mol. Its IUPAC name is (Z)-4,4-difluoro-3-methyliminobut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-4,4-difluoro-3-methyliminobut-1-en-1-amine
PubChem CID156890367
Molecular FormulaC5H8F2N2
Molecular Weight134.13 g/mol
Exact Mass134.07
IUPAC Name(Z)-4,4-difluoro-3-methyliminobut-1-en-1-amine
SMILESC/N=C(/C=C\N)C(F)F
InChIInChI=1S/C5H8F2N2/c1-9-4(2-3-8)5(6)7/h2-3,5H,8H2,1H3/b3-2-,9-4-
InChIKeyKKTILPRZBKUCEC-UARZHTBLSA-N
XLogP0.79
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-4,4-difluoro-3-methyliminobut-1-en-1-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)-4,4-difluoro-3-methyliminobut-1-en-1-amine?
The IUPAC name of (Z)-4,4-difluoro-3-methyliminobut-1-en-1-amine (CID 156890367) is (Z)-4,4-difluoro-3-methyliminobut-1-en-1-amine.
What is the SMILES notation for (Z)-4,4-difluoro-3-methyliminobut-1-en-1-amine?
The canonical SMILES for (Z)-4,4-difluoro-3-methyliminobut-1-en-1-amine is C/N=C(/C=C\N)C(F)F.
What is the InChIKey of (Z)-4,4-difluoro-3-methyliminobut-1-en-1-amine?
The InChIKey is KKTILPRZBKUCEC-UARZHTBLSA-N. The full InChI is InChI=1S/C5H8F2N2/c1-9-4(2-3-8)5(6)7/h2-3,5H,8H2,1H3/b3-2-,9-4-.
What are the key properties of (Z)-4,4-difluoro-3-methyliminobut-1-en-1-amine?
(Z)-4,4-difluoro-3-methyliminobut-1-en-1-amine has a molecular weight of 134.13 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4-difluoro-3-methyliminobut-1-en-1-amine is sourced from PubChem (CID 156890367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).