(Z)-3-(4-fluorophenyl)-3-hydrazinylprop-2-enenitrile

C9H8FN3 — CID 134846571

IUPAC(Z)-3-(4-fluorophenyl)-3-hydrazinylprop-2-enenitrile
SMILESN#C/C=C(\NN)c1ccc(F)cc1
InChIInChI=1S/C9H8FN3/c10-8-3-1-7(2-4-8)9(13-12)5-6-11/h1-5,13H,12H2/b9-5-
InChIKeyKFFDGWFIDGAUMI-UITAMQMPSA-N
MW177.18 g/mol
LogP1.15
Rot. Bonds2

About (Z)-3-(4-fluorophenyl)-3-hydrazinylprop-2-enenitrile

(Z)-3-(4-fluorophenyl)-3-hydrazinylprop-2-enenitrile (PubChem CID 134846571) has the molecular formula C9H8FN3 and a molecular weight of 177.18 g/mol. Its IUPAC name is (Z)-3-(4-fluorophenyl)-3-hydrazinylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(4-fluorophenyl)-3-hydrazinylprop-2-enenitrile
PubChem CID134846571
Molecular FormulaC9H8FN3
Molecular Weight177.18 g/mol
Exact Mass177.07
IUPAC Name(Z)-3-(4-fluorophenyl)-3-hydrazinylprop-2-enenitrile
SMILESN#C/C=C(\NN)c1ccc(F)cc1
InChIInChI=1S/C9H8FN3/c10-8-3-1-7(2-4-8)9(13-12)5-6-11/h1-5,13H,12H2/b9-5-
InChIKeyKFFDGWFIDGAUMI-UITAMQMPSA-N
XLogP1.15
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-fluorophenyl)-3-hydrazinylprop-2-enenitrile?
The IUPAC name of (Z)-3-(4-fluorophenyl)-3-hydrazinylprop-2-enenitrile (CID 134846571) is (Z)-3-(4-fluorophenyl)-3-hydrazinylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-(4-fluorophenyl)-3-hydrazinylprop-2-enenitrile?
The canonical SMILES for (Z)-3-(4-fluorophenyl)-3-hydrazinylprop-2-enenitrile is N#C/C=C(\NN)c1ccc(F)cc1.
What is the InChIKey of (Z)-3-(4-fluorophenyl)-3-hydrazinylprop-2-enenitrile?
The InChIKey is KFFDGWFIDGAUMI-UITAMQMPSA-N. The full InChI is InChI=1S/C9H8FN3/c10-8-3-1-7(2-4-8)9(13-12)5-6-11/h1-5,13H,12H2/b9-5-.
What are the key properties of (Z)-3-(4-fluorophenyl)-3-hydrazinylprop-2-enenitrile?
(Z)-3-(4-fluorophenyl)-3-hydrazinylprop-2-enenitrile has a molecular weight of 177.18 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-fluorophenyl)-3-hydrazinylprop-2-enenitrile is sourced from PubChem (CID 134846571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).