3-(4-fluorophenyl)-4-formylbenzonitrile

C14H8FNO — CID 102284559

IUPAC3-(4-fluorophenyl)-4-formylbenzonitrile
SMILESN#Cc1ccc(C=O)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C14H8FNO/c15-13-5-3-11(4-6-13)14-7-10(8-16)1-2-12(14)9-17/h1-7,9H
InChIKeyOZYAEBNEPFSXRX-UHFFFAOYSA-N
MW225.22 g/mol
LogP3.18
Rot. Bonds2

About 3-(4-fluorophenyl)-4-formylbenzonitrile

3-(4-fluorophenyl)-4-formylbenzonitrile (PubChem CID 102284559) has the molecular formula C14H8FNO and a molecular weight of 225.22 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-formylbenzonitrile.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-formylbenzonitrile
PubChem CID102284559
Molecular FormulaC14H8FNO
Molecular Weight225.22 g/mol
Exact Mass225.06
IUPAC Name3-(4-fluorophenyl)-4-formylbenzonitrile
SMILESN#Cc1ccc(C=O)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C14H8FNO/c15-13-5-3-11(4-6-13)14-7-10(8-16)1-2-12(14)9-17/h1-7,9H
InChIKeyOZYAEBNEPFSXRX-UHFFFAOYSA-N
XLogP3.18
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-3-formylbenzonitrile
CID 175454533
4-formyl-3-thiophen-2-ylbenzonitrile
CID 54376113
3-bromo-4-formylbenzonitrile
CID 20510518
3-(4-fluoro-2-methylphenoxy)-4-formylbenzonitrile
CID 126636524
3-(4-chlorophenyl)-4-fluorobenzonitrile
CID 82115906
3-formyl-4-hydroxybenzonitrile
CID 11789350
5-cyano-2-formylbenzoic acid
CID 130827836
2-fluoro-3,6-diformylbenzonitrile
CID 171011652
4-fluoro-3-phenylbenzonitrile
CID 46314741
4-fluorobenzenethiol;4-fluoro-3-formylbenzonitrile;4-(4-fluorophenyl)sulfanyl-3-formylbenzonitrile
CID 161117835
2-(4-fluorophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712543
3-fluoro-4-[(4-fluoro-2-formylphenoxy)methyl]benzonitrile
CID 107697217

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-formylbenzonitrile?
The IUPAC name of 3-(4-fluorophenyl)-4-formylbenzonitrile (CID 102284559) is 3-(4-fluorophenyl)-4-formylbenzonitrile.
What is the SMILES notation for 3-(4-fluorophenyl)-4-formylbenzonitrile?
The canonical SMILES for 3-(4-fluorophenyl)-4-formylbenzonitrile is N#Cc1ccc(C=O)c(-c2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-fluorophenyl)-4-formylbenzonitrile?
The InChIKey is OZYAEBNEPFSXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO/c15-13-5-3-11(4-6-13)14-7-10(8-16)1-2-12(14)9-17/h1-7,9H.
What are the key properties of 3-(4-fluorophenyl)-4-formylbenzonitrile?
3-(4-fluorophenyl)-4-formylbenzonitrile has a molecular weight of 225.22 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-formylbenzonitrile is sourced from PubChem (CID 102284559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).