4-(3-fluorophenoxy)benzonitrile

C13H8FNO — CID 19576754

IUPAC4-(3-fluorophenoxy)benzonitrile
SMILESN#Cc1ccc(Oc2cccc(F)c2)cc1
InChIInChI=1S/C13H8FNO/c14-11-2-1-3-13(8-11)16-12-6-4-10(9-15)5-7-12/h1-8H
InChIKeyHPBQAEPAVNQRDT-UHFFFAOYSA-N
MW213.21 g/mol
LogP3.49
Rot. Bonds2

About 4-(3-fluorophenoxy)benzonitrile

4-(3-fluorophenoxy)benzonitrile (PubChem CID 19576754) has the molecular formula C13H8FNO and a molecular weight of 213.21 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)benzonitrile.

Molecular Properties

Compound Name4-(3-fluorophenoxy)benzonitrile
PubChem CID19576754
Molecular FormulaC13H8FNO
Molecular Weight213.21 g/mol
Exact Mass213.06
IUPAC Name4-(3-fluorophenoxy)benzonitrile
SMILESN#Cc1ccc(Oc2cccc(F)c2)cc1
InChIInChI=1S/C13H8FNO/c14-11-2-1-3-13(8-11)16-12-6-4-10(9-15)5-7-12/h1-8H
InChIKeyHPBQAEPAVNQRDT-UHFFFAOYSA-N
XLogP3.49
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)benzonitrile?
The IUPAC name of 4-(3-fluorophenoxy)benzonitrile (CID 19576754) is 4-(3-fluorophenoxy)benzonitrile.
What is the SMILES notation for 4-(3-fluorophenoxy)benzonitrile?
The canonical SMILES for 4-(3-fluorophenoxy)benzonitrile is N#Cc1ccc(Oc2cccc(F)c2)cc1.
What is the InChIKey of 4-(3-fluorophenoxy)benzonitrile?
The InChIKey is HPBQAEPAVNQRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO/c14-11-2-1-3-13(8-11)16-12-6-4-10(9-15)5-7-12/h1-8H.
What are the key properties of 4-(3-fluorophenoxy)benzonitrile?
4-(3-fluorophenoxy)benzonitrile has a molecular weight of 213.21 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)benzonitrile is sourced from PubChem (CID 19576754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).