(2Z)-2-ethenyl-3-fluoropenta-2,4-dien-1-imine

C7H8FN — CID 143678605

IUPAC(2Z)-2-ethenyl-3-fluoropenta-2,4-dien-1-imine
SMILES[H]/N=C/C(C=C)=C(\F)C=C
InChIInChI=1S/C7H8FN/c1-3-6(5-9)7(8)4-2/h3-5,9H,1-2H2/b7-6-,9-5+
InChIKeyOEPMNOQHULOLSE-QRLJIZSYSA-N
MW125.15 g/mol
LogP2.23
Rot. Bonds3

About (2Z)-2-ethenyl-3-fluoropenta-2,4-dien-1-imine

(2Z)-2-ethenyl-3-fluoropenta-2,4-dien-1-imine (PubChem CID 143678605) has the molecular formula C7H8FN and a molecular weight of 125.15 g/mol. Its IUPAC name is (2Z)-2-ethenyl-3-fluoropenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-2-ethenyl-3-fluoropenta-2,4-dien-1-imine
PubChem CID143678605
Molecular FormulaC7H8FN
Molecular Weight125.15 g/mol
Exact Mass125.06
IUPAC Name(2Z)-2-ethenyl-3-fluoropenta-2,4-dien-1-imine
SMILES[H]/N=C/C(C=C)=C(\F)C=C
InChIInChI=1S/C7H8FN/c1-3-6(5-9)7(8)4-2/h3-5,9H,1-2H2/b7-6-,9-5+
InChIKeyOEPMNOQHULOLSE-QRLJIZSYSA-N
XLogP2.23
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z)-2-ethenyl-3-fluoropenta-2,4-dien-1-imine 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 (2Z)-2-ethenyl-3-fluoropenta-2,4-dien-1-imine?
The IUPAC name of (2Z)-2-ethenyl-3-fluoropenta-2,4-dien-1-imine (CID 143678605) is (2Z)-2-ethenyl-3-fluoropenta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-2-ethenyl-3-fluoropenta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-2-ethenyl-3-fluoropenta-2,4-dien-1-imine is [H]/N=C/C(C=C)=C(\F)C=C.
What is the InChIKey of (2Z)-2-ethenyl-3-fluoropenta-2,4-dien-1-imine?
The InChIKey is OEPMNOQHULOLSE-QRLJIZSYSA-N. The full InChI is InChI=1S/C7H8FN/c1-3-6(5-9)7(8)4-2/h3-5,9H,1-2H2/b7-6-,9-5+.
What are the key properties of (2Z)-2-ethenyl-3-fluoropenta-2,4-dien-1-imine?
(2Z)-2-ethenyl-3-fluoropenta-2,4-dien-1-imine has a molecular weight of 125.15 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethenyl-3-fluoropenta-2,4-dien-1-imine is sourced from PubChem (CID 143678605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).