2-(5-bromo-2-fluorophenyl)-3,5-difluorobenzonitrile

C13H5BrF3N — CID 22329562

IUPAC2-(5-bromo-2-fluorophenyl)-3,5-difluorobenzonitrile
SMILESN#Cc1cc(F)cc(F)c1-c1cc(Br)ccc1F
InChIInChI=1S/C13H5BrF3N/c14-8-1-2-11(16)10(4-8)13-7(6-18)3-9(15)5-12(13)17/h1-5H
InChIKeyHGYWGASLLUTRBX-UHFFFAOYSA-N
MW312.09 g/mol
LogP4.41
Rot. Bonds1

About 2-(5-bromo-2-fluorophenyl)-3,5-difluorobenzonitrile

2-(5-bromo-2-fluorophenyl)-3,5-difluorobenzonitrile (PubChem CID 22329562) has the molecular formula C13H5BrF3N and a molecular weight of 312.09 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-3,5-difluorobenzonitrile.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-3,5-difluorobenzonitrile
PubChem CID22329562
Molecular FormulaC13H5BrF3N
Molecular Weight312.09 g/mol
Exact Mass310.96
IUPAC Name2-(5-bromo-2-fluorophenyl)-3,5-difluorobenzonitrile
SMILESN#Cc1cc(F)cc(F)c1-c1cc(Br)ccc1F
InChIInChI=1S/C13H5BrF3N/c14-8-1-2-11(16)10(4-8)13-7(6-18)3-9(15)5-12(13)17/h1-5H
InChIKeyHGYWGASLLUTRBX-UHFFFAOYSA-N
XLogP4.41
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.09
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-3,5-difluorobenzonitrile?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-3,5-difluorobenzonitrile (CID 22329562) is 2-(5-bromo-2-fluorophenyl)-3,5-difluorobenzonitrile.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-3,5-difluorobenzonitrile?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-3,5-difluorobenzonitrile is N#Cc1cc(F)cc(F)c1-c1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-3,5-difluorobenzonitrile?
The InChIKey is HGYWGASLLUTRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5BrF3N/c14-8-1-2-11(16)10(4-8)13-7(6-18)3-9(15)5-12(13)17/h1-5H.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-3,5-difluorobenzonitrile?
2-(5-bromo-2-fluorophenyl)-3,5-difluorobenzonitrile has a molecular weight of 312.09 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-3,5-difluorobenzonitrile is sourced from PubChem (CID 22329562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).