2-fluoro-6-(4-fluorophenoxy)benzonitrile

C13H7F2NO — CID 2737320

IUPAC2-fluoro-6-(4-fluorophenoxy)benzonitrile
SMILESN#Cc1c(F)cccc1Oc1ccc(F)cc1
InChIInChI=1S/C13H7F2NO/c14-9-4-6-10(7-5-9)17-13-3-1-2-12(15)11(13)8-16/h1-7H
InChIKeyNOPNZSQHYZPSSX-UHFFFAOYSA-N
MW231.20 g/mol
LogP3.63
Rot. Bonds2

About 2-fluoro-6-(4-fluorophenoxy)benzonitrile

2-fluoro-6-(4-fluorophenoxy)benzonitrile (PubChem CID 2737320) has the molecular formula C13H7F2NO and a molecular weight of 231.20 g/mol. Its IUPAC name is 2-fluoro-6-(4-fluorophenoxy)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(4-fluorophenoxy)benzonitrile
PubChem CID2737320
Molecular FormulaC13H7F2NO
Molecular Weight231.20 g/mol
Exact Mass231.05
IUPAC Name2-fluoro-6-(4-fluorophenoxy)benzonitrile
SMILESN#Cc1c(F)cccc1Oc1ccc(F)cc1
InChIInChI=1S/C13H7F2NO/c14-9-4-6-10(7-5-9)17-13-3-1-2-12(15)11(13)8-16/h1-7H
InChIKeyNOPNZSQHYZPSSX-UHFFFAOYSA-N
XLogP3.63
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(4-fluorophenoxy)benzonitrile?
The IUPAC name of 2-fluoro-6-(4-fluorophenoxy)benzonitrile (CID 2737320) is 2-fluoro-6-(4-fluorophenoxy)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(4-fluorophenoxy)benzonitrile?
The canonical SMILES for 2-fluoro-6-(4-fluorophenoxy)benzonitrile is N#Cc1c(F)cccc1Oc1ccc(F)cc1.
What is the InChIKey of 2-fluoro-6-(4-fluorophenoxy)benzonitrile?
The InChIKey is NOPNZSQHYZPSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2NO/c14-9-4-6-10(7-5-9)17-13-3-1-2-12(15)11(13)8-16/h1-7H.
What are the key properties of 2-fluoro-6-(4-fluorophenoxy)benzonitrile?
2-fluoro-6-(4-fluorophenoxy)benzonitrile has a molecular weight of 231.20 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(4-fluorophenoxy)benzonitrile is sourced from PubChem (CID 2737320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).