3-[(4-fluorophenyl)methylideneamino]benzonitrile

C14H9FN2 — CID 932015

IUPAC3-[(4-fluorophenyl)methylideneamino]benzonitrile
SMILESN#Cc1cccc(/N=C/c2ccc(F)cc2)c1
InChIInChI=1S/C14H9FN2/c15-13-6-4-11(5-7-13)10-17-14-3-1-2-12(8-14)9-16/h1-8,10H/b17-10+
InChIKeyWAHKFESQPIUUAE-LICLKQGHSA-N
MW224.24 g/mol
LogP3.45
Rot. Bonds2

About 3-[(4-fluorophenyl)methylideneamino]benzonitrile

3-[(4-fluorophenyl)methylideneamino]benzonitrile (PubChem CID 932015) has the molecular formula C14H9FN2 and a molecular weight of 224.24 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylideneamino]benzonitrile.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylideneamino]benzonitrile
PubChem CID932015
Molecular FormulaC14H9FN2
Molecular Weight224.24 g/mol
Exact Mass224.07
IUPAC Name3-[(4-fluorophenyl)methylideneamino]benzonitrile
SMILESN#Cc1cccc(/N=C/c2ccc(F)cc2)c1
InChIInChI=1S/C14H9FN2/c15-13-6-4-11(5-7-13)10-17-14-3-1-2-12(8-14)9-16/h1-8,10H/b17-10+
InChIKeyWAHKFESQPIUUAE-LICLKQGHSA-N
XLogP3.45
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-Benzylideneaniline
CID 10858
N-Phenylbenzimidoyl cyanide
CID 231999
N-benzylidene-4-methylaniline
CID 75276
N,N'-Terephthalylidene-bis(4-fluoroaniline)
CID 321189
N-Cinnamylideneaniline
CID 5375816
N-(4-Methylbenzylidene)aniline
CID 525732
4,4'-{benzene-1,4-diylbis[(E)methylylidenenitrilo]}dibenzonitrile
CID 794690
(E)-N-Phenyl-1-(4-(trifluoromethyl)phenyl)methanimine
CID 11747016
N-(3-Phenyl-2-propenylidene)aniline
CID 291034
N-(4-Fluorobenzylidene)-4-iodoaniline
CID 554998
N-Benzylidene-4-ethylaniline
CID 4990418
N-Benzylidene-o-toluidine
CID 97516

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylideneamino]benzonitrile?
The IUPAC name of 3-[(4-fluorophenyl)methylideneamino]benzonitrile (CID 932015) is 3-[(4-fluorophenyl)methylideneamino]benzonitrile.
What is the SMILES notation for 3-[(4-fluorophenyl)methylideneamino]benzonitrile?
The canonical SMILES for 3-[(4-fluorophenyl)methylideneamino]benzonitrile is N#Cc1cccc(/N=C/c2ccc(F)cc2)c1.
What is the InChIKey of 3-[(4-fluorophenyl)methylideneamino]benzonitrile?
The InChIKey is WAHKFESQPIUUAE-LICLKQGHSA-N. The full InChI is InChI=1S/C14H9FN2/c15-13-6-4-11(5-7-13)10-17-14-3-1-2-12(8-14)9-16/h1-8,10H/b17-10+.
What are the key properties of 3-[(4-fluorophenyl)methylideneamino]benzonitrile?
3-[(4-fluorophenyl)methylideneamino]benzonitrile has a molecular weight of 224.24 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylideneamino]benzonitrile is sourced from PubChem (CID 932015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).