5-bromo-2-(2,2-difluoroethoxy)-1,3-difluorobenzene

C8H5BrF4O — CID 15217334

IUPAC5-bromo-2-(2,2-difluoroethoxy)-1,3-difluorobenzene
SMILESFc1cc(Br)cc(F)c1OCC(F)F
InChIInChI=1S/C8H5BrF4O/c9-4-1-5(10)8(6(11)2-4)14-3-7(12)13/h1-2,7H,3H2
InChIKeyOTHWPUHFVYQFGG-UHFFFAOYSA-N
MW273.02 g/mol
LogP3.37
Rot. Bonds3

About 5-bromo-2-(2,2-difluoroethoxy)-1,3-difluorobenzene

5-bromo-2-(2,2-difluoroethoxy)-1,3-difluorobenzene (PubChem CID 15217334) has the molecular formula C8H5BrF4O and a molecular weight of 273.02 g/mol. Its IUPAC name is 5-bromo-2-(2,2-difluoroethoxy)-1,3-difluorobenzene.

Molecular Properties

Compound Name5-bromo-2-(2,2-difluoroethoxy)-1,3-difluorobenzene
PubChem CID15217334
Molecular FormulaC8H5BrF4O
Molecular Weight273.02 g/mol
Exact Mass271.95
IUPAC Name5-bromo-2-(2,2-difluoroethoxy)-1,3-difluorobenzene
SMILESFc1cc(Br)cc(F)c1OCC(F)F
InChIInChI=1S/C8H5BrF4O/c9-4-1-5(10)8(6(11)2-4)14-3-7(12)13/h1-2,7H,3H2
InChIKeyOTHWPUHFVYQFGG-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.02
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,2-difluoroethoxy)-1,3-difluorobenzene?
The IUPAC name of 5-bromo-2-(2,2-difluoroethoxy)-1,3-difluorobenzene (CID 15217334) is 5-bromo-2-(2,2-difluoroethoxy)-1,3-difluorobenzene.
What is the SMILES notation for 5-bromo-2-(2,2-difluoroethoxy)-1,3-difluorobenzene?
The canonical SMILES for 5-bromo-2-(2,2-difluoroethoxy)-1,3-difluorobenzene is Fc1cc(Br)cc(F)c1OCC(F)F.
What is the InChIKey of 5-bromo-2-(2,2-difluoroethoxy)-1,3-difluorobenzene?
The InChIKey is OTHWPUHFVYQFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF4O/c9-4-1-5(10)8(6(11)2-4)14-3-7(12)13/h1-2,7H,3H2.
What are the key properties of 5-bromo-2-(2,2-difluoroethoxy)-1,3-difluorobenzene?
5-bromo-2-(2,2-difluoroethoxy)-1,3-difluorobenzene has a molecular weight of 273.02 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,2-difluoroethoxy)-1,3-difluorobenzene is sourced from PubChem (CID 15217334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).