2-(2-bromo-6-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene

C13H5BrF6O — CID 169337204

IUPAC2-(2-bromo-6-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene
SMILESFc1cc(C(F)(F)F)cc(F)c1Oc1c(F)cccc1Br
InChIInChI=1S/C13H5BrF6O/c14-7-2-1-3-8(15)11(7)21-12-9(16)4-6(5-10(12)17)13(18,19)20/h1-5H
InChIKeyMBCDNADNEKHSTM-UHFFFAOYSA-N
MW371.07 g/mol
LogP5.68
Rot. Bonds2

About 2-(2-bromo-6-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene

2-(2-bromo-6-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene (PubChem CID 169337204) has the molecular formula C13H5BrF6O and a molecular weight of 371.07 g/mol. Its IUPAC name is 2-(2-bromo-6-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-(2-bromo-6-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene
PubChem CID169337204
Molecular FormulaC13H5BrF6O
Molecular Weight371.07 g/mol
Exact Mass369.94
IUPAC Name2-(2-bromo-6-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene
SMILESFc1cc(C(F)(F)F)cc(F)c1Oc1c(F)cccc1Br
InChIInChI=1S/C13H5BrF6O/c14-7-2-1-3-8(15)11(7)21-12-9(16)4-6(5-10(12)17)13(18,19)20/h1-5H
InChIKeyMBCDNADNEKHSTM-UHFFFAOYSA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.07
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-3-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene
CID 169337177
[3-bromo-2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]phenyl]thiourea
CID 169359753
2-[2-bromo-4-(trifluoromethyl)phenoxy]-3-fluoroaniline
CID 104832170
2-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]furan
CID 168528467
2-bromo-1,3-difluoro-5-(trifluoromethyl)benzene
CID 2778983
3-bromo-2-[2-bromo-4-(trifluoromethyl)phenoxy]aniline
CID 115511844
N-[3-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-2-methylphenyl]-4-methylbenzenesulfonamide
CID 169373206
1-chloro-3-fluoro-2-phenoxy-5-(trifluoromethyl)benzene
CID 90892102
5-[[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-6-fluoroanilino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168540586
N-[3-bromo-2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-fluorophenyl]-4-methylbenzenesulfonamide
CID 169373177
1-[3-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-2-methylphenyl]pyrrolidine
CID 168515576
2-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-6-fluoroanilino]ethene-1,1,2-tricarbonitrile
CID 168610285

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene?
The IUPAC name of 2-(2-bromo-6-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene (CID 169337204) is 2-(2-bromo-6-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene.
What is the SMILES notation for 2-(2-bromo-6-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene?
The canonical SMILES for 2-(2-bromo-6-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene is Fc1cc(C(F)(F)F)cc(F)c1Oc1c(F)cccc1Br.
What is the InChIKey of 2-(2-bromo-6-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene?
The InChIKey is MBCDNADNEKHSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5BrF6O/c14-7-2-1-3-8(15)11(7)21-12-9(16)4-6(5-10(12)17)13(18,19)20/h1-5H.
What are the key properties of 2-(2-bromo-6-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene?
2-(2-bromo-6-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene has a molecular weight of 371.07 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene is sourced from PubChem (CID 169337204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).