2-(4-bromophenoxy)-6-fluorobenzonitrile

C13H7BrFNO — CID 9029439

IUPAC2-(4-bromophenoxy)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Oc1ccc(Br)cc1
InChIInChI=1S/C13H7BrFNO/c14-9-4-6-10(7-5-9)17-13-3-1-2-12(15)11(13)8-16/h1-7H
InChIKeyVGJLQGCTLRYOSM-UHFFFAOYSA-N
MW292.11 g/mol
LogP4.25
Rot. Bonds2

About 2-(4-bromophenoxy)-6-fluorobenzonitrile

2-(4-bromophenoxy)-6-fluorobenzonitrile (PubChem CID 9029439) has the molecular formula C13H7BrFNO and a molecular weight of 292.11 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(4-bromophenoxy)-6-fluorobenzonitrile
PubChem CID9029439
Molecular FormulaC13H7BrFNO
Molecular Weight292.11 g/mol
Exact Mass290.97
IUPAC Name2-(4-bromophenoxy)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Oc1ccc(Br)cc1
InChIInChI=1S/C13H7BrFNO/c14-9-4-6-10(7-5-9)17-13-3-1-2-12(15)11(13)8-16/h1-7H
InChIKeyVGJLQGCTLRYOSM-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

2-(4-aminophenoxy)-6-fluorobenzonitrile
CID 43609010
2-fluoro-6-(4-propan-2-yloxyphenoxy)benzonitrile
CID 154966368
2-fluoro-6-(4-propan-2-ylphenoxy)benzonitrile
CID 79513583
2-(4-ethylphenoxy)-6-fluorobenzonitrile
CID 52855348
2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile
CID 78952780
2-fluoro-6-[4-(1-hydroxyethyl)phenoxy]benzonitrile
CID 43609128
2-(5-bromopyrimidin-2-yl)oxy-6-fluorobenzonitrile
CID 63867087
2-fluoro-6-[4-[1-(methylamino)ethyl]phenoxy]benzonitrile
CID 43609103
2-(3-chlorophenoxy)-6-fluorobenzonitrile
CID 24777412
2-[(6-chloro-3-pyridinyl)oxy]-6-fluorobenzonitrile
CID 133384052
2-[2-(1-aminoethyl)-4-bromophenoxy]-6-fluorobenzonitrile
CID 82975947
3-(2-cyano-3-fluorophenoxy)benzoic acid
CID 63943454

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-6-fluorobenzonitrile?
The IUPAC name of 2-(4-bromophenoxy)-6-fluorobenzonitrile (CID 9029439) is 2-(4-bromophenoxy)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(4-bromophenoxy)-6-fluorobenzonitrile?
The canonical SMILES for 2-(4-bromophenoxy)-6-fluorobenzonitrile is N#Cc1c(F)cccc1Oc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-6-fluorobenzonitrile?
The InChIKey is VGJLQGCTLRYOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrFNO/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-(4-bromophenoxy)-6-fluorobenzonitrile?
2-(4-bromophenoxy)-6-fluorobenzonitrile 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 2-(4-bromophenoxy)-6-fluorobenzonitrile is sourced from PubChem (CID 9029439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).