3-bromo-4-(2,4-difluorophenoxy)benzonitrile

C13H6BrF2NO — CID 82798545

IUPAC3-bromo-4-(2,4-difluorophenoxy)benzonitrile
SMILESN#Cc1ccc(Oc2ccc(F)cc2F)c(Br)c1
InChIInChI=1S/C13H6BrF2NO/c14-10-5-8(7-17)1-3-12(10)18-13-4-2-9(15)6-11(13)16/h1-6H
InChIKeyWUNYTQKEVRBNEN-UHFFFAOYSA-N
MW310.10 g/mol
LogP4.39
Rot. Bonds2

About 3-bromo-4-(2,4-difluorophenoxy)benzonitrile

3-bromo-4-(2,4-difluorophenoxy)benzonitrile (PubChem CID 82798545) has the molecular formula C13H6BrF2NO and a molecular weight of 310.10 g/mol. Its IUPAC name is 3-bromo-4-(2,4-difluorophenoxy)benzonitrile.

Molecular Properties

Compound Name3-bromo-4-(2,4-difluorophenoxy)benzonitrile
PubChem CID82798545
Molecular FormulaC13H6BrF2NO
Molecular Weight310.10 g/mol
Exact Mass308.96
IUPAC Name3-bromo-4-(2,4-difluorophenoxy)benzonitrile
SMILESN#Cc1ccc(Oc2ccc(F)cc2F)c(Br)c1
InChIInChI=1S/C13H6BrF2NO/c14-10-5-8(7-17)1-3-12(10)18-13-4-2-9(15)6-11(13)16/h1-6H
InChIKeyWUNYTQKEVRBNEN-UHFFFAOYSA-N
XLogP4.39
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.10
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-cyanophenoxy)-5-fluorobenzoic acid
CID 82801775
4-(2-chloro-4-fluorophenoxy)-3-fluorobenzonitrile
CID 54880085
4-(2-amino-5-bromo-4-fluorophenoxy)-3-fluorobenzonitrile
CID 107670129
3-bromo-4-(2-fluoro-3-methylphenoxy)benzonitrile
CID 107658057
4-(2-bromo-4-fluorophenoxy)-3-nitrobenzonitrile
CID 34040057
3-bromo-4-(2-bromo-4-methylphenoxy)benzonitrile
CID 82798072
4-(5-bromo-2,3-difluorophenoxy)-3-fluorobenzonitrile
CID 107098253
3-(2-bromo-4-fluorophenoxy)-5-fluorobenzonitrile
CID 102817771
3-bromo-4-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]oxybenzonitrile
CID 67135586
4-(4-bromo-2-fluorophenoxy)-3-chlorobenzonitrile
CID 55180064
4-(4-bromo-2-chlorophenoxy)-3-fluorobenzonitrile
CID 43657480
3-amino-4-(4-bromo-2-fluorophenoxy)benzonitrile
CID 43518305

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2,4-difluorophenoxy)benzonitrile?
The IUPAC name of 3-bromo-4-(2,4-difluorophenoxy)benzonitrile (CID 82798545) is 3-bromo-4-(2,4-difluorophenoxy)benzonitrile.
What is the SMILES notation for 3-bromo-4-(2,4-difluorophenoxy)benzonitrile?
The canonical SMILES for 3-bromo-4-(2,4-difluorophenoxy)benzonitrile is N#Cc1ccc(Oc2ccc(F)cc2F)c(Br)c1.
What is the InChIKey of 3-bromo-4-(2,4-difluorophenoxy)benzonitrile?
The InChIKey is WUNYTQKEVRBNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrF2NO/c14-10-5-8(7-17)1-3-12(10)18-13-4-2-9(15)6-11(13)16/h1-6H.
What are the key properties of 3-bromo-4-(2,4-difluorophenoxy)benzonitrile?
3-bromo-4-(2,4-difluorophenoxy)benzonitrile has a molecular weight of 310.10 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2,4-difluorophenoxy)benzonitrile is sourced from PubChem (CID 82798545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).