3-[(3-fluorophenyl)iminomethyl]benzonitrile

C14H9FN2 — CID 139246020

IUPAC3-[(3-fluorophenyl)iminomethyl]benzonitrile
SMILESN#Cc1cccc(/C=N/c2cccc(F)c2)c1
InChIInChI=1S/C14H9FN2/c15-13-5-2-6-14(8-13)17-10-12-4-1-3-11(7-12)9-16/h1-8,10H/b17-10+
InChIKeyRZBGLCMBUWNBJF-LICLKQGHSA-N
MW224.24 g/mol
LogP3.45
Rot. Bonds2

About 3-[(3-fluorophenyl)iminomethyl]benzonitrile

3-[(3-fluorophenyl)iminomethyl]benzonitrile (PubChem CID 139246020) has the molecular formula C14H9FN2 and a molecular weight of 224.24 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)iminomethyl]benzonitrile.

Molecular Properties

Compound Name3-[(3-fluorophenyl)iminomethyl]benzonitrile
PubChem CID139246020
Molecular FormulaC14H9FN2
Molecular Weight224.24 g/mol
Exact Mass224.07
IUPAC Name3-[(3-fluorophenyl)iminomethyl]benzonitrile
SMILESN#Cc1cccc(/C=N/c2cccc(F)c2)c1
InChIInChI=1S/C14H9FN2/c15-13-5-2-6-14(8-13)17-10-12-4-1-3-11(7-12)9-16/h1-8,10H/b17-10+
InChIKeyRZBGLCMBUWNBJF-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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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)iminomethyl]benzonitrile?
The IUPAC name of 3-[(3-fluorophenyl)iminomethyl]benzonitrile (CID 139246020) is 3-[(3-fluorophenyl)iminomethyl]benzonitrile.
What is the SMILES notation for 3-[(3-fluorophenyl)iminomethyl]benzonitrile?
The canonical SMILES for 3-[(3-fluorophenyl)iminomethyl]benzonitrile is N#Cc1cccc(/C=N/c2cccc(F)c2)c1.
What is the InChIKey of 3-[(3-fluorophenyl)iminomethyl]benzonitrile?
The InChIKey is RZBGLCMBUWNBJF-LICLKQGHSA-N. The full InChI is InChI=1S/C14H9FN2/c15-13-5-2-6-14(8-13)17-10-12-4-1-3-11(7-12)9-16/h1-8,10H/b17-10+.
What are the key properties of 3-[(3-fluorophenyl)iminomethyl]benzonitrile?
3-[(3-fluorophenyl)iminomethyl]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-[(3-fluorophenyl)iminomethyl]benzonitrile is sourced from PubChem (CID 139246020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).