(Z)-3-amino-3-[4-(4-fluorophenyl)phenyl]-2-hydrazinylprop-2-enenitrile

C15H13FN4 — CID 170147712

IUPAC(Z)-3-amino-3-[4-(4-fluorophenyl)phenyl]-2-hydrazinylprop-2-enenitrile
SMILESN#C/C(NN)=C(/N)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FN4/c16-13-7-5-11(6-8-13)10-1-3-12(4-2-10)15(18)14(9-17)20-19/h1-8,20H,18-19H2/b15-14-
InChIKeyUYAFRFNIKPJDRC-PFONDFGASA-N
MW268.30 g/mol
LogP2.11
Rot. Bonds3

About (Z)-3-amino-3-[4-(4-fluorophenyl)phenyl]-2-hydrazinylprop-2-enenitrile

(Z)-3-amino-3-[4-(4-fluorophenyl)phenyl]-2-hydrazinylprop-2-enenitrile (PubChem CID 170147712) has the molecular formula C15H13FN4 and a molecular weight of 268.30 g/mol. Its IUPAC name is (Z)-3-amino-3-[4-(4-fluorophenyl)phenyl]-2-hydrazinylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-amino-3-[4-(4-fluorophenyl)phenyl]-2-hydrazinylprop-2-enenitrile
PubChem CID170147712
Molecular FormulaC15H13FN4
Molecular Weight268.30 g/mol
Exact Mass268.11
IUPAC Name(Z)-3-amino-3-[4-(4-fluorophenyl)phenyl]-2-hydrazinylprop-2-enenitrile
SMILESN#C/C(NN)=C(/N)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FN4/c16-13-7-5-11(6-8-13)10-1-3-12(4-2-10)15(18)14(9-17)20-19/h1-8,20H,18-19H2/b15-14-
InChIKeyUYAFRFNIKPJDRC-PFONDFGASA-N
XLogP2.11
TPSA87.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-amino-3-[4-(4-fluorophenyl)phenyl]-2-hydrazinylprop-2-enenitrile?
The IUPAC name of (Z)-3-amino-3-[4-(4-fluorophenyl)phenyl]-2-hydrazinylprop-2-enenitrile (CID 170147712) is (Z)-3-amino-3-[4-(4-fluorophenyl)phenyl]-2-hydrazinylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-amino-3-[4-(4-fluorophenyl)phenyl]-2-hydrazinylprop-2-enenitrile?
The canonical SMILES for (Z)-3-amino-3-[4-(4-fluorophenyl)phenyl]-2-hydrazinylprop-2-enenitrile is N#C/C(NN)=C(/N)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of (Z)-3-amino-3-[4-(4-fluorophenyl)phenyl]-2-hydrazinylprop-2-enenitrile?
The InChIKey is UYAFRFNIKPJDRC-PFONDFGASA-N. The full InChI is InChI=1S/C15H13FN4/c16-13-7-5-11(6-8-13)10-1-3-12(4-2-10)15(18)14(9-17)20-19/h1-8,20H,18-19H2/b15-14-.
What are the key properties of (Z)-3-amino-3-[4-(4-fluorophenyl)phenyl]-2-hydrazinylprop-2-enenitrile?
(Z)-3-amino-3-[4-(4-fluorophenyl)phenyl]-2-hydrazinylprop-2-enenitrile has a molecular weight of 268.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-3-[4-(4-fluorophenyl)phenyl]-2-hydrazinylprop-2-enenitrile is sourced from PubChem (CID 170147712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).