2-bromo-1-(2-bromo-1,1-difluoroethoxy)-1,1-difluoroethane

C4H4Br2F4O — CID 86219981

IUPAC2-bromo-1-(2-bromo-1,1-difluoroethoxy)-1,1-difluoroethane
SMILESFC(F)(CBr)OC(F)(F)CBr
InChIInChI=1S/C4H4Br2F4O/c5-1-3(7,8)11-4(9,10)2-6/h1-2H2
InChIKeyASTCJHLXHXTVKL-UHFFFAOYSA-N
MW303.88 g/mol
LogP2.98
Rot. Bonds4

About 2-bromo-1-(2-bromo-1,1-difluoroethoxy)-1,1-difluoroethane

2-bromo-1-(2-bromo-1,1-difluoroethoxy)-1,1-difluoroethane (PubChem CID 86219981) has the molecular formula C4H4Br2F4O and a molecular weight of 303.88 g/mol. Its IUPAC name is 2-bromo-1-(2-bromo-1,1-difluoroethoxy)-1,1-difluoroethane.

Molecular Properties

Compound Name2-bromo-1-(2-bromo-1,1-difluoroethoxy)-1,1-difluoroethane
PubChem CID86219981
Molecular FormulaC4H4Br2F4O
Molecular Weight303.88 g/mol
Exact Mass301.86
IUPAC Name2-bromo-1-(2-bromo-1,1-difluoroethoxy)-1,1-difluoroethane
SMILESFC(F)(CBr)OC(F)(F)CBr
InChIInChI=1S/C4H4Br2F4O/c5-1-3(7,8)11-4(9,10)2-6/h1-2H2
InChIKeyASTCJHLXHXTVKL-UHFFFAOYSA-N
XLogP2.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.88
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-bromo-1,1-difluoroethoxy)-1,1-difluoroethane?
The IUPAC name of 2-bromo-1-(2-bromo-1,1-difluoroethoxy)-1,1-difluoroethane (CID 86219981) is 2-bromo-1-(2-bromo-1,1-difluoroethoxy)-1,1-difluoroethane.
What is the SMILES notation for 2-bromo-1-(2-bromo-1,1-difluoroethoxy)-1,1-difluoroethane?
The canonical SMILES for 2-bromo-1-(2-bromo-1,1-difluoroethoxy)-1,1-difluoroethane is FC(F)(CBr)OC(F)(F)CBr.
What is the InChIKey of 2-bromo-1-(2-bromo-1,1-difluoroethoxy)-1,1-difluoroethane?
The InChIKey is ASTCJHLXHXTVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Br2F4O/c5-1-3(7,8)11-4(9,10)2-6/h1-2H2.
What are the key properties of 2-bromo-1-(2-bromo-1,1-difluoroethoxy)-1,1-difluoroethane?
2-bromo-1-(2-bromo-1,1-difluoroethoxy)-1,1-difluoroethane has a molecular weight of 303.88 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-bromo-1,1-difluoroethoxy)-1,1-difluoroethane is sourced from PubChem (CID 86219981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).