2-(5-bromo-2-fluorophenoxy)-5-(trifluoromethyl)benzonitrile

C14H6BrF4NO — CID 114672339

IUPAC2-(5-bromo-2-fluorophenoxy)-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(C(F)(F)F)ccc1Oc1cc(Br)ccc1F
InChIInChI=1S/C14H6BrF4NO/c15-10-2-3-11(16)13(6-10)21-12-4-1-9(14(17,18)19)5-8(12)7-20/h1-6H
InChIKeyGPJCXDNIEPYFRK-UHFFFAOYSA-N
MW360.10 g/mol
LogP5.27
Rot. Bonds2

About 2-(5-bromo-2-fluorophenoxy)-5-(trifluoromethyl)benzonitrile

2-(5-bromo-2-fluorophenoxy)-5-(trifluoromethyl)benzonitrile (PubChem CID 114672339) has the molecular formula C14H6BrF4NO and a molecular weight of 360.10 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenoxy)-5-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenoxy)-5-(trifluoromethyl)benzonitrile
PubChem CID114672339
Molecular FormulaC14H6BrF4NO
Molecular Weight360.10 g/mol
Exact Mass358.96
IUPAC Name2-(5-bromo-2-fluorophenoxy)-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(C(F)(F)F)ccc1Oc1cc(Br)ccc1F
InChIInChI=1S/C14H6BrF4NO/c15-10-2-3-11(16)13(6-10)21-12-4-1-9(14(17,18)19)5-8(12)7-20/h1-6H
InChIKeyGPJCXDNIEPYFRK-UHFFFAOYSA-N
XLogP5.27
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.10
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenoxy)-5-(trifluoromethyl)benzonitrile
CID 63269377
5-amino-2-(5-bromo-2-fluorophenoxy)benzonitrile
CID 114671689
2-(5-bromo-2-fluorophenoxy)-5-formylbenzonitrile
CID 114063362
4-bromo-2-[4-(trifluoromethyl)phenoxy]benzonitrile
CID 114902415
2-(2-fluoro-4-formylphenoxy)-5-(trifluoromethyl)benzonitrile
CID 118679156
2-bromo-4-(5-bromo-2-fluorophenoxy)benzonitrile
CID 107277110
2-(2-hydroxyphenoxy)-5-(trifluoromethyl)benzonitrile
CID 12805692
4-bromo-1-(5-bromo-2-fluorophenoxy)-2-(trifluoromethyl)benzene
CID 114673155
2-(5-bromo-2-fluoroanilino)-5-(trifluoromethyl)benzonitrile
CID 43555845
5-chloro-2-(2,4-dibromophenoxy)benzonitrile
CID 64719976
2-(5-bromo-2,3-difluorophenoxy)-5-chlorobenzonitrile
CID 107098218
5-bromo-2-(3,5-difluorophenoxy)benzonitrile
CID 114891054

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenoxy)-5-(trifluoromethyl)benzonitrile?
The IUPAC name of 2-(5-bromo-2-fluorophenoxy)-5-(trifluoromethyl)benzonitrile (CID 114672339) is 2-(5-bromo-2-fluorophenoxy)-5-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2-(5-bromo-2-fluorophenoxy)-5-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2-(5-bromo-2-fluorophenoxy)-5-(trifluoromethyl)benzonitrile is N#Cc1cc(C(F)(F)F)ccc1Oc1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenoxy)-5-(trifluoromethyl)benzonitrile?
The InChIKey is GPJCXDNIEPYFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6BrF4NO/c15-10-2-3-11(16)13(6-10)21-12-4-1-9(14(17,18)19)5-8(12)7-20/h1-6H.
What are the key properties of 2-(5-bromo-2-fluorophenoxy)-5-(trifluoromethyl)benzonitrile?
2-(5-bromo-2-fluorophenoxy)-5-(trifluoromethyl)benzonitrile has a molecular weight of 360.10 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenoxy)-5-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 114672339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).