2-fluoro-5-(2-formylphenoxy)benzonitrile

C14H8FNO2 — CID 90204991

IUPAC2-fluoro-5-(2-formylphenoxy)benzonitrile
SMILESN#Cc1cc(Oc2ccccc2C=O)ccc1F
InChIInChI=1S/C14H8FNO2/c15-13-6-5-12(7-11(13)8-16)18-14-4-2-1-3-10(14)9-17/h1-7,9H
InChIKeyISKZYPCYPYDCCZ-UHFFFAOYSA-N
MW241.22 g/mol
LogP3.30
Rot. Bonds3

About 2-fluoro-5-(2-formylphenoxy)benzonitrile

2-fluoro-5-(2-formylphenoxy)benzonitrile (PubChem CID 90204991) has the molecular formula C14H8FNO2 and a molecular weight of 241.22 g/mol. Its IUPAC name is 2-fluoro-5-(2-formylphenoxy)benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-(2-formylphenoxy)benzonitrile
PubChem CID90204991
Molecular FormulaC14H8FNO2
Molecular Weight241.22 g/mol
Exact Mass241.05
IUPAC Name2-fluoro-5-(2-formylphenoxy)benzonitrile
SMILESN#Cc1cc(Oc2ccccc2C=O)ccc1F
InChIInChI=1S/C14H8FNO2/c15-13-6-5-12(7-11(13)8-16)18-14-4-2-1-3-10(14)9-17/h1-7,9H
InChIKeyISKZYPCYPYDCCZ-UHFFFAOYSA-N
XLogP3.30
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-formylphenoxy)benzonitrile?
The IUPAC name of 2-fluoro-5-(2-formylphenoxy)benzonitrile (CID 90204991) is 2-fluoro-5-(2-formylphenoxy)benzonitrile.
What is the SMILES notation for 2-fluoro-5-(2-formylphenoxy)benzonitrile?
The canonical SMILES for 2-fluoro-5-(2-formylphenoxy)benzonitrile is N#Cc1cc(Oc2ccccc2C=O)ccc1F.
What is the InChIKey of 2-fluoro-5-(2-formylphenoxy)benzonitrile?
The InChIKey is ISKZYPCYPYDCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO2/c15-13-6-5-12(7-11(13)8-16)18-14-4-2-1-3-10(14)9-17/h1-7,9H.
What are the key properties of 2-fluoro-5-(2-formylphenoxy)benzonitrile?
2-fluoro-5-(2-formylphenoxy)benzonitrile has a molecular weight of 241.22 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-formylphenoxy)benzonitrile is sourced from PubChem (CID 90204991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).