(Z)-1-fluoro-2-N-methyl-4-N-methylidene-4-phenylbut-3-ene-2,4-diimine

C12H13FN2 — CID 88578795

IUPAC(Z)-1-fluoro-2-N-methyl-4-N-methylidene-4-phenylbut-3-ene-2,4-diimine
SMILESC=N/C(=C\C(CF)=N\C)c1ccccc1
InChIInChI=1S/C12H13FN2/c1-14-11(9-13)8-12(15-2)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3/b12-8-,14-11-
InChIKeyALKKEYSYQSJRQR-YYOLDXPVSA-N
MW204.25 g/mol
LogP2.77
Rot. Bonds4

About (Z)-1-fluoro-2-N-methyl-4-N-methylidene-4-phenylbut-3-ene-2,4-diimine

(Z)-1-fluoro-2-N-methyl-4-N-methylidene-4-phenylbut-3-ene-2,4-diimine (PubChem CID 88578795) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is (Z)-1-fluoro-2-N-methyl-4-N-methylidene-4-phenylbut-3-ene-2,4-diimine.

Molecular Properties

Compound Name(Z)-1-fluoro-2-N-methyl-4-N-methylidene-4-phenylbut-3-ene-2,4-diimine
PubChem CID88578795
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name(Z)-1-fluoro-2-N-methyl-4-N-methylidene-4-phenylbut-3-ene-2,4-diimine
SMILESC=N/C(=C\C(CF)=N\C)c1ccccc1
InChIInChI=1S/C12H13FN2/c1-14-11(9-13)8-12(15-2)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3/b12-8-,14-11-
InChIKeyALKKEYSYQSJRQR-YYOLDXPVSA-N
XLogP2.77
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-1-fluoro-2-N-methyl-4-N-methylidene-4-phenylbut-3-ene-2,4-diimine 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)-1-fluoro-2-N-methyl-4-N-methylidene-4-phenylbut-3-ene-2,4-diimine?
The IUPAC name of (Z)-1-fluoro-2-N-methyl-4-N-methylidene-4-phenylbut-3-ene-2,4-diimine (CID 88578795) is (Z)-1-fluoro-2-N-methyl-4-N-methylidene-4-phenylbut-3-ene-2,4-diimine.
What is the SMILES notation for (Z)-1-fluoro-2-N-methyl-4-N-methylidene-4-phenylbut-3-ene-2,4-diimine?
The canonical SMILES for (Z)-1-fluoro-2-N-methyl-4-N-methylidene-4-phenylbut-3-ene-2,4-diimine is C=N/C(=C\C(CF)=N\C)c1ccccc1.
What is the InChIKey of (Z)-1-fluoro-2-N-methyl-4-N-methylidene-4-phenylbut-3-ene-2,4-diimine?
The InChIKey is ALKKEYSYQSJRQR-YYOLDXPVSA-N. The full InChI is InChI=1S/C12H13FN2/c1-14-11(9-13)8-12(15-2)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3/b12-8-,14-11-.
What are the key properties of (Z)-1-fluoro-2-N-methyl-4-N-methylidene-4-phenylbut-3-ene-2,4-diimine?
(Z)-1-fluoro-2-N-methyl-4-N-methylidene-4-phenylbut-3-ene-2,4-diimine has a molecular weight of 204.25 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-fluoro-2-N-methyl-4-N-methylidene-4-phenylbut-3-ene-2,4-diimine is sourced from PubChem (CID 88578795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).