2,4-dibromo-1,3-difluoro-5-(trifluoromethoxy)benzene

C7HBr2F5O — CID 118819001

IUPAC2,4-dibromo-1,3-difluoro-5-(trifluoromethoxy)benzene
SMILESFc1cc(OC(F)(F)F)c(Br)c(F)c1Br
InChIInChI=1S/C7HBr2F5O/c8-4-2(10)1-3(5(9)6(4)11)15-7(12,13)14/h1H
InChIKeyNOAAFVVGXFNUMO-UHFFFAOYSA-N
MW355.88 g/mol
LogP4.39
Rot. Bonds1

About 2,4-dibromo-1,3-difluoro-5-(trifluoromethoxy)benzene

2,4-dibromo-1,3-difluoro-5-(trifluoromethoxy)benzene (PubChem CID 118819001) has the molecular formula C7HBr2F5O and a molecular weight of 355.88 g/mol. Its IUPAC name is 2,4-dibromo-1,3-difluoro-5-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2,4-dibromo-1,3-difluoro-5-(trifluoromethoxy)benzene
PubChem CID118819001
Molecular FormulaC7HBr2F5O
Molecular Weight355.88 g/mol
Exact Mass353.83
IUPAC Name2,4-dibromo-1,3-difluoro-5-(trifluoromethoxy)benzene
SMILESFc1cc(OC(F)(F)F)c(Br)c(F)c1Br
InChIInChI=1S/C7HBr2F5O/c8-4-2(10)1-3(5(9)6(4)11)15-7(12,13)14/h1H
InChIKeyNOAAFVVGXFNUMO-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.88
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1,4-dibromo-2,3-difluoro-5-(trifluoromethoxy)benzene
CID 121228033
1,2-dibromo-5-chloro-3-(trifluoromethoxy)benzene
CID 171006255
5-bromo-2-fluoro-4-(trifluoromethoxy)phenol
CID 130863182
2-bromo-3-fluoro-6-(trifluoromethoxy)aniline
CID 118995381
2-bromo-3,6-difluoro-5-(trifluoromethoxy)pyridine
CID 130094144
2-bromo-5-fluoro-6-methyl-3-(trifluoromethoxy)pyridine
CID 119009127
3,4-dibromo-5-(trifluoromethoxy)aniline
CID 121228147
1-bromo-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene
CID 171033218
1,2-dibromo-3,5-difluoro-4-(trifluoromethoxy)benzene
CID 118841593
2-bromo-6-fluoro-3-(trifluoromethoxy)benzonitrile
CID 166638347
2-bromo-4-fluoro-5-(trifluoromethoxy)aniline
CID 98041876
1-bromo-2-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 171033015

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1,3-difluoro-5-(trifluoromethoxy)benzene?
The IUPAC name of 2,4-dibromo-1,3-difluoro-5-(trifluoromethoxy)benzene (CID 118819001) is 2,4-dibromo-1,3-difluoro-5-(trifluoromethoxy)benzene.
What is the SMILES notation for 2,4-dibromo-1,3-difluoro-5-(trifluoromethoxy)benzene?
The canonical SMILES for 2,4-dibromo-1,3-difluoro-5-(trifluoromethoxy)benzene is Fc1cc(OC(F)(F)F)c(Br)c(F)c1Br.
What is the InChIKey of 2,4-dibromo-1,3-difluoro-5-(trifluoromethoxy)benzene?
The InChIKey is NOAAFVVGXFNUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HBr2F5O/c8-4-2(10)1-3(5(9)6(4)11)15-7(12,13)14/h1H.
What are the key properties of 2,4-dibromo-1,3-difluoro-5-(trifluoromethoxy)benzene?
2,4-dibromo-1,3-difluoro-5-(trifluoromethoxy)benzene has a molecular weight of 355.88 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1,3-difluoro-5-(trifluoromethoxy)benzene is sourced from PubChem (CID 118819001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).