4-(4-bromo-2-fluorophenoxy)benzonitrile

C13H7BrFNO — CID 28876598

IUPAC4-(4-bromo-2-fluorophenoxy)benzonitrile
SMILESN#Cc1ccc(Oc2ccc(Br)cc2F)cc1
InChIInChI=1S/C13H7BrFNO/c14-10-3-6-13(12(15)7-10)17-11-4-1-9(8-16)2-5-11/h1-7H
InChIKeyPYYQPUMNJOFTBJ-UHFFFAOYSA-N
MW292.11 g/mol
LogP4.25
Rot. Bonds2

About 4-(4-bromo-2-fluorophenoxy)benzonitrile

4-(4-bromo-2-fluorophenoxy)benzonitrile (PubChem CID 28876598) has the molecular formula C13H7BrFNO and a molecular weight of 292.11 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenoxy)benzonitrile.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenoxy)benzonitrile
PubChem CID28876598
Molecular FormulaC13H7BrFNO
Molecular Weight292.11 g/mol
Exact Mass290.97
IUPAC Name4-(4-bromo-2-fluorophenoxy)benzonitrile
SMILESN#Cc1ccc(Oc2ccc(Br)cc2F)cc1
InChIInChI=1S/C13H7BrFNO/c14-10-3-6-13(12(15)7-10)17-11-4-1-9(8-16)2-5-11/h1-7H
InChIKeyPYYQPUMNJOFTBJ-UHFFFAOYSA-N
XLogP4.25
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.11
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromo-2-fluorophenoxy)-3-chlorobenzonitrile
CID 55180064
3-amino-4-(4-bromo-2-fluorophenoxy)benzonitrile
CID 43518305
4-(4-bromo-2-chlorophenoxy)-3-fluorobenzonitrile
CID 43657480
4-[4-bromo-2-(1-hydroxyethyl)phenoxy]benzonitrile
CID 82970383
4-(4-bromo-2-fluorophenoxy)benzaldehyde
CID 15143249
4-(5-bromo-2,3-difluorophenoxy)-3-fluorobenzonitrile
CID 107098253
4-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile
CID 78941631
4-(5-bromo-2-formylphenoxy)benzonitrile
CID 43364710
4-(4-amino-2-fluoro-5-methylphenoxy)benzonitrile
CID 114417635
4-[4-(cyanomethyl)phenoxy]-3-fluorobenzonitrile
CID 43657432
4-(2,5-difluorophenoxy)benzonitrile
CID 63269334
4-[4-(2-aminoethyl)phenoxy]-3-fluorobenzonitrile
CID 65362371

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluorophenoxy)benzonitrile?
The IUPAC name of 4-(4-bromo-2-fluorophenoxy)benzonitrile (CID 28876598) is 4-(4-bromo-2-fluorophenoxy)benzonitrile.
What is the SMILES notation for 4-(4-bromo-2-fluorophenoxy)benzonitrile?
The canonical SMILES for 4-(4-bromo-2-fluorophenoxy)benzonitrile is N#Cc1ccc(Oc2ccc(Br)cc2F)cc1.
What is the InChIKey of 4-(4-bromo-2-fluorophenoxy)benzonitrile?
The InChIKey is PYYQPUMNJOFTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrFNO/c14-10-3-6-13(12(15)7-10)17-11-4-1-9(8-16)2-5-11/h1-7H.
What are the key properties of 4-(4-bromo-2-fluorophenoxy)benzonitrile?
4-(4-bromo-2-fluorophenoxy)benzonitrile has a molecular weight of 292.11 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluorophenoxy)benzonitrile is sourced from PubChem (CID 28876598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).