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

C13H5BrF6O — CID 169337177

IUPAC2-(2-bromo-3-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene
SMILESFc1cccc(Oc2c(F)cc(C(F)(F)F)cc2F)c1Br
InChIInChI=1S/C13H5BrF6O/c14-11-7(15)2-1-3-10(11)21-12-8(16)4-6(5-9(12)17)13(18,19)20/h1-5H
InChIKeyTUMCZDQXGBBGRY-UHFFFAOYSA-N
MW371.07 g/mol
LogP5.68
Rot. Bonds2

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

2-(2-bromo-3-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene (PubChem CID 169337177) has the molecular formula C13H5BrF6O and a molecular weight of 371.07 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene
PubChem CID169337177
Molecular FormulaC13H5BrF6O
Molecular Weight371.07 g/mol
Exact Mass369.94
IUPAC Name2-(2-bromo-3-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene
SMILESFc1cccc(Oc2c(F)cc(C(F)(F)F)cc2F)c1Br
InChIInChI=1S/C13H5BrF6O/c14-11-7(15)2-1-3-10(11)21-12-8(16)4-6(5-9(12)17)13(18,19)20/h1-5H
InChIKeyTUMCZDQXGBBGRY-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-6-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene
CID 169337204
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
5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol
CID 139615369
2-bromo-1,3-difluoro-5-(trifluoromethyl)benzene
CID 2778983
2-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-6-methylphenyl]isoindole-1,3-dione
CID 168519660
5-[[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-6-fluoroanilino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168540586
2-[2-bromo-4-(trifluoromethyl)phenoxy]-3-fluoroaniline
CID 104832170
1-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-fluorophenyl]pyrrolidine
CID 168515552
[3-bromo-2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]phenyl]thiourea
CID 169359753
N-[3-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-2-methylphenyl]-4-methylbenzenesulfonamide
CID 169373206
2-[3-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-fluorophenyl]furan
CID 168528480

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene?
The IUPAC name of 2-(2-bromo-3-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene (CID 169337177) is 2-(2-bromo-3-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene.
What is the SMILES notation for 2-(2-bromo-3-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene?
The canonical SMILES for 2-(2-bromo-3-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene is Fc1cccc(Oc2c(F)cc(C(F)(F)F)cc2F)c1Br.
What is the InChIKey of 2-(2-bromo-3-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene?
The InChIKey is TUMCZDQXGBBGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5BrF6O/c14-11-7(15)2-1-3-10(11)21-12-8(16)4-6(5-9(12)17)13(18,19)20/h1-5H.
What are the key properties of 2-(2-bromo-3-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene?
2-(2-bromo-3-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-3-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene is sourced from PubChem (CID 169337177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).