(E)-5-fluoro-2-methylidenehex-4-ene-1,3-diimine

C7H9FN2 — CID 123197329

IUPAC(E)-5-fluoro-2-methylidenehex-4-ene-1,3-diimine
SMILES[H]/N=C/C(=C)C(/C=C(\C)F)=N/[H]
InChIInChI=1S/C7H9FN2/c1-5(4-9)7(10)3-6(2)8/h3-4,9-10H,1H2,2H3/b6-3+,9-4+,10-7+
InChIKeyKQSMGHVRRBDCHX-YWBJZXEASA-N
MW140.16 g/mol
LogP2.09
Rot. Bonds3

About (E)-5-fluoro-2-methylidenehex-4-ene-1,3-diimine

(E)-5-fluoro-2-methylidenehex-4-ene-1,3-diimine (PubChem CID 123197329) has the molecular formula C7H9FN2 and a molecular weight of 140.16 g/mol. Its IUPAC name is (E)-5-fluoro-2-methylidenehex-4-ene-1,3-diimine.

Molecular Properties

Compound Name(E)-5-fluoro-2-methylidenehex-4-ene-1,3-diimine
PubChem CID123197329
Molecular FormulaC7H9FN2
Molecular Weight140.16 g/mol
Exact Mass140.07
IUPAC Name(E)-5-fluoro-2-methylidenehex-4-ene-1,3-diimine
SMILES[H]/N=C/C(=C)C(/C=C(\C)F)=N/[H]
InChIInChI=1S/C7H9FN2/c1-5(4-9)7(10)3-6(2)8/h3-4,9-10H,1H2,2H3/b6-3+,9-4+,10-7+
InChIKeyKQSMGHVRRBDCHX-YWBJZXEASA-N
XLogP2.09
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-5-fluoro-2-methylidenehex-4-ene-1,3-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 (E)-5-fluoro-2-methylidenehex-4-ene-1,3-diimine?
The IUPAC name of (E)-5-fluoro-2-methylidenehex-4-ene-1,3-diimine (CID 123197329) is (E)-5-fluoro-2-methylidenehex-4-ene-1,3-diimine.
What is the SMILES notation for (E)-5-fluoro-2-methylidenehex-4-ene-1,3-diimine?
The canonical SMILES for (E)-5-fluoro-2-methylidenehex-4-ene-1,3-diimine is [H]/N=C/C(=C)C(/C=C(\C)F)=N/[H].
What is the InChIKey of (E)-5-fluoro-2-methylidenehex-4-ene-1,3-diimine?
The InChIKey is KQSMGHVRRBDCHX-YWBJZXEASA-N. The full InChI is InChI=1S/C7H9FN2/c1-5(4-9)7(10)3-6(2)8/h3-4,9-10H,1H2,2H3/b6-3+,9-4+,10-7+.
What are the key properties of (E)-5-fluoro-2-methylidenehex-4-ene-1,3-diimine?
(E)-5-fluoro-2-methylidenehex-4-ene-1,3-diimine has a molecular weight of 140.16 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-fluoro-2-methylidenehex-4-ene-1,3-diimine is sourced from PubChem (CID 123197329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).