4-[(4-Fluoro-phenylimino)methyl]benzonitrile

HCID 913541

Substructure search Find similar structures

Basic information

Standard SMILES: N#Cc1ccc(C=Nc2ccc(F)cc2)cc1
InChIKey: DRTPXERKQCJQAJ-UHFFFAOYSA-N
Molecular formula: C14H9FN2
Average molar mass: 224.23 g/mol
Monoisotopic mass: 224.07497646

Names & identifiers

Preferred name: 4-[(4-Fluoro-phenylimino)methyl]benzonitrile
IUPAC: 4-[(4-fluorophenyl)iminomethyl]benzonitrile

Names & synonyms

SCHEMBL2909491SCHEMBL3198697DRTPXERKQCJQAJ-UHFFFAOYSA-NAKOS0034082694-[(4-fluorophenylimino)methyl]benzonitrile4-[(4-fluoro-phenylimino)methyl]benzonitrile4-[(4-fluorophenylimino)-methyl]-benzonitrile

Database identifiers

PubChem CID: 913541
Nikkaji: J994.458C

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 36.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 301

Related reactions

10 records

New reaction record

HRID 132751As reactantuspto-grants-2008_06

HRID 133724As reactantuspto-grants-2008_06

HRID 348056As reactantuspto-grants-2007_02

HRID 810295As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1117847As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1200859As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1612515As reactantuspto-grants-2006_01

HRID 2105736As reactantuspto-grants-2009_08

Linked notes

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