5-bromo-1,3-difluoro-2-(trifluoromethoxy)benzene

C7H2BrF5O — CID 15219533

IUPAC5-bromo-1,3-difluoro-2-(trifluoromethoxy)benzene
SMILESFc1cc(Br)cc(F)c1OC(F)(F)F
InChIInChI=1S/C7H2BrF5O/c8-3-1-4(9)6(5(10)2-3)14-7(11,12)13/h1-2H
InChIKeyORHCJZZKAUAZDR-UHFFFAOYSA-N
MW276.99 g/mol
LogP3.63
Rot. Bonds1

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

5-bromo-1,3-difluoro-2-(trifluoromethoxy)benzene (PubChem CID 15219533) has the molecular formula C7H2BrF5O and a molecular weight of 276.99 g/mol. Its IUPAC name is 5-bromo-1,3-difluoro-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name5-bromo-1,3-difluoro-2-(trifluoromethoxy)benzene
PubChem CID15219533
Molecular FormulaC7H2BrF5O
Molecular Weight276.99 g/mol
Exact Mass275.92
IUPAC Name5-bromo-1,3-difluoro-2-(trifluoromethoxy)benzene
SMILESFc1cc(Br)cc(F)c1OC(F)(F)F
InChIInChI=1S/C7H2BrF5O/c8-3-1-4(9)6(5(10)2-3)14-7(11,12)13/h1-2H
InChIKeyORHCJZZKAUAZDR-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.99
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-difluoro-2-(trifluoromethoxy)benzene?
The IUPAC name of 5-bromo-1,3-difluoro-2-(trifluoromethoxy)benzene (CID 15219533) is 5-bromo-1,3-difluoro-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 5-bromo-1,3-difluoro-2-(trifluoromethoxy)benzene?
The canonical SMILES for 5-bromo-1,3-difluoro-2-(trifluoromethoxy)benzene is Fc1cc(Br)cc(F)c1OC(F)(F)F.
What is the InChIKey of 5-bromo-1,3-difluoro-2-(trifluoromethoxy)benzene?
The InChIKey is ORHCJZZKAUAZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF5O/c8-3-1-4(9)6(5(10)2-3)14-7(11,12)13/h1-2H.
What are the key properties of 5-bromo-1,3-difluoro-2-(trifluoromethoxy)benzene?
5-bromo-1,3-difluoro-2-(trifluoromethoxy)benzene has a molecular weight of 276.99 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-difluoro-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 15219533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).