2-(2-fluorophenyl)-6-(8-fluoroquinolin-4-yl)benzonitrile

C22H12F2N2 — CID 67487927

IUPAC2-(2-fluorophenyl)-6-(8-fluoroquinolin-4-yl)benzonitrile
SMILESN#Cc1c(-c2ccccc2F)cccc1-c1ccnc2c(F)cccc12
InChIInChI=1S/C22H12F2N2/c23-20-9-2-1-5-17(20)15-7-3-6-14(19(15)13-25)16-11-12-26-22-18(16)8-4-10-21(22)24/h1-12H
InChIKeyCGOSSQSGSZDDTI-UHFFFAOYSA-N
MW342.35 g/mol
LogP5.72
Rot. Bonds2

About 2-(2-fluorophenyl)-6-(8-fluoroquinolin-4-yl)benzonitrile

2-(2-fluorophenyl)-6-(8-fluoroquinolin-4-yl)benzonitrile (PubChem CID 67487927) has the molecular formula C22H12F2N2 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-6-(8-fluoroquinolin-4-yl)benzonitrile.

Molecular Properties

Compound Name2-(2-fluorophenyl)-6-(8-fluoroquinolin-4-yl)benzonitrile
PubChem CID67487927
Molecular FormulaC22H12F2N2
Molecular Weight342.35 g/mol
Exact Mass342.10
IUPAC Name2-(2-fluorophenyl)-6-(8-fluoroquinolin-4-yl)benzonitrile
SMILESN#Cc1c(-c2ccccc2F)cccc1-c1ccnc2c(F)cccc12
InChIInChI=1S/C22H12F2N2/c23-20-9-2-1-5-17(20)15-7-3-6-14(19(15)13-25)16-11-12-26-22-18(16)8-4-10-21(22)24/h1-12H
InChIKeyCGOSSQSGSZDDTI-UHFFFAOYSA-N
XLogP5.72
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.35
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-6-(8-fluoroquinolin-4-yl)benzonitrile?
The IUPAC name of 2-(2-fluorophenyl)-6-(8-fluoroquinolin-4-yl)benzonitrile (CID 67487927) is 2-(2-fluorophenyl)-6-(8-fluoroquinolin-4-yl)benzonitrile.
What is the SMILES notation for 2-(2-fluorophenyl)-6-(8-fluoroquinolin-4-yl)benzonitrile?
The canonical SMILES for 2-(2-fluorophenyl)-6-(8-fluoroquinolin-4-yl)benzonitrile is N#Cc1c(-c2ccccc2F)cccc1-c1ccnc2c(F)cccc12.
What is the InChIKey of 2-(2-fluorophenyl)-6-(8-fluoroquinolin-4-yl)benzonitrile?
The InChIKey is CGOSSQSGSZDDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F2N2/c23-20-9-2-1-5-17(20)15-7-3-6-14(19(15)13-25)16-11-12-26-22-18(16)8-4-10-21(22)24/h1-12H.
What are the key properties of 2-(2-fluorophenyl)-6-(8-fluoroquinolin-4-yl)benzonitrile?
2-(2-fluorophenyl)-6-(8-fluoroquinolin-4-yl)benzonitrile has a molecular weight of 342.35 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-6-(8-fluoroquinolin-4-yl)benzonitrile is sourced from PubChem (CID 67487927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).