4-[(Z)-1-amino-2-[1-(4-fluorophenyl)ethenoxy]ethenyl]benzonitrile

C17H13FN2O — CID 90048203

IUPAC4-[(Z)-1-amino-2-[1-(4-fluorophenyl)ethenoxy]ethenyl]benzonitrile
SMILESC=C(O/C=C(\N)c1ccc(C#N)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O/c1-12(14-6-8-16(18)9-7-14)21-11-17(20)15-4-2-13(10-19)3-5-15/h2-9,11H,1,20H2/b17-11-
InChIKeyIXLQHVRKSOWMRA-BOPFTXTBSA-N
MW280.30 g/mol
LogP3.64
Rot. Bonds4

About 4-[(Z)-1-amino-2-[1-(4-fluorophenyl)ethenoxy]ethenyl]benzonitrile

4-[(Z)-1-amino-2-[1-(4-fluorophenyl)ethenoxy]ethenyl]benzonitrile (PubChem CID 90048203) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-[(Z)-1-amino-2-[1-(4-fluorophenyl)ethenoxy]ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(Z)-1-amino-2-[1-(4-fluorophenyl)ethenoxy]ethenyl]benzonitrile
PubChem CID90048203
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name4-[(Z)-1-amino-2-[1-(4-fluorophenyl)ethenoxy]ethenyl]benzonitrile
SMILESC=C(O/C=C(\N)c1ccc(C#N)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O/c1-12(14-6-8-16(18)9-7-14)21-11-17(20)15-4-2-13(10-19)3-5-15/h2-9,11H,1,20H2/b17-11-
InChIKeyIXLQHVRKSOWMRA-BOPFTXTBSA-N
XLogP3.64
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-amino-2-[1-(4-fluorophenyl)ethenoxy]ethenyl]benzonitrile?
The IUPAC name of 4-[(Z)-1-amino-2-[1-(4-fluorophenyl)ethenoxy]ethenyl]benzonitrile (CID 90048203) is 4-[(Z)-1-amino-2-[1-(4-fluorophenyl)ethenoxy]ethenyl]benzonitrile.
What is the SMILES notation for 4-[(Z)-1-amino-2-[1-(4-fluorophenyl)ethenoxy]ethenyl]benzonitrile?
The canonical SMILES for 4-[(Z)-1-amino-2-[1-(4-fluorophenyl)ethenoxy]ethenyl]benzonitrile is C=C(O/C=C(\N)c1ccc(C#N)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-[(Z)-1-amino-2-[1-(4-fluorophenyl)ethenoxy]ethenyl]benzonitrile?
The InChIKey is IXLQHVRKSOWMRA-BOPFTXTBSA-N. The full InChI is InChI=1S/C17H13FN2O/c1-12(14-6-8-16(18)9-7-14)21-11-17(20)15-4-2-13(10-19)3-5-15/h2-9,11H,1,20H2/b17-11-.
What are the key properties of 4-[(Z)-1-amino-2-[1-(4-fluorophenyl)ethenoxy]ethenyl]benzonitrile?
4-[(Z)-1-amino-2-[1-(4-fluorophenyl)ethenoxy]ethenyl]benzonitrile has a molecular weight of 280.30 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-amino-2-[1-(4-fluorophenyl)ethenoxy]ethenyl]benzonitrile is sourced from PubChem (CID 90048203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).