(3E)-3-(4-fluorophenyl)-3-hydrazinylidenepropanenitrile

C9H8FN3 — CID 134862080

IUPAC(3E)-3-(4-fluorophenyl)-3-hydrazinylidenepropanenitrile
SMILESN#CC/C(=N\N)c1ccc(F)cc1
InChIInChI=1S/C9H8FN3/c10-8-3-1-7(2-4-8)9(13-12)5-6-11/h1-4H,5,12H2/b13-9+
InChIKeyPCAQQWMRXYDDQG-UKTHLTGXSA-N
MW177.18 g/mol
LogP1.40
Rot. Bonds2

About (3E)-3-(4-fluorophenyl)-3-hydrazinylidenepropanenitrile

(3E)-3-(4-fluorophenyl)-3-hydrazinylidenepropanenitrile (PubChem CID 134862080) has the molecular formula C9H8FN3 and a molecular weight of 177.18 g/mol. Its IUPAC name is (3E)-3-(4-fluorophenyl)-3-hydrazinylidenepropanenitrile.

Molecular Properties

Compound Name(3E)-3-(4-fluorophenyl)-3-hydrazinylidenepropanenitrile
PubChem CID134862080
Molecular FormulaC9H8FN3
Molecular Weight177.18 g/mol
Exact Mass177.07
IUPAC Name(3E)-3-(4-fluorophenyl)-3-hydrazinylidenepropanenitrile
SMILESN#CC/C(=N\N)c1ccc(F)cc1
InChIInChI=1S/C9H8FN3/c10-8-3-1-7(2-4-8)9(13-12)5-6-11/h1-4H,5,12H2/b13-9+
InChIKeyPCAQQWMRXYDDQG-UKTHLTGXSA-N
XLogP1.40
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3E)-3-(4-fluorophenyl)-3-hydrazinylidenepropanenitrile 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 (3E)-3-(4-fluorophenyl)-3-hydrazinylidenepropanenitrile?
The IUPAC name of (3E)-3-(4-fluorophenyl)-3-hydrazinylidenepropanenitrile (CID 134862080) is (3E)-3-(4-fluorophenyl)-3-hydrazinylidenepropanenitrile.
What is the SMILES notation for (3E)-3-(4-fluorophenyl)-3-hydrazinylidenepropanenitrile?
The canonical SMILES for (3E)-3-(4-fluorophenyl)-3-hydrazinylidenepropanenitrile is N#CC/C(=N\N)c1ccc(F)cc1.
What is the InChIKey of (3E)-3-(4-fluorophenyl)-3-hydrazinylidenepropanenitrile?
The InChIKey is PCAQQWMRXYDDQG-UKTHLTGXSA-N. The full InChI is InChI=1S/C9H8FN3/c10-8-3-1-7(2-4-8)9(13-12)5-6-11/h1-4H,5,12H2/b13-9+.
What are the key properties of (3E)-3-(4-fluorophenyl)-3-hydrazinylidenepropanenitrile?
(3E)-3-(4-fluorophenyl)-3-hydrazinylidenepropanenitrile has a molecular weight of 177.18 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(4-fluorophenyl)-3-hydrazinylidenepropanenitrile is sourced from PubChem (CID 134862080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).