1-(2,2-dibromo-1,1-difluoroethoxy)propane

C5H8Br2F2O — CID 134922201

IUPAC1-(2,2-dibromo-1,1-difluoroethoxy)propane
SMILESCCCOC(F)(F)C(Br)Br
InChIInChI=1S/C5H8Br2F2O/c1-2-3-10-5(8,9)4(6)7/h4H,2-3H2,1H3
InChIKeyWZIOPSXRTDGJHX-UHFFFAOYSA-N
MW281.92 g/mol
LogP3.12
Rot. Bonds4

About 1-(2,2-dibromo-1,1-difluoroethoxy)propane

1-(2,2-dibromo-1,1-difluoroethoxy)propane (PubChem CID 134922201) has the molecular formula C5H8Br2F2O and a molecular weight of 281.92 g/mol. Its IUPAC name is 1-(2,2-dibromo-1,1-difluoroethoxy)propane.

Molecular Properties

Compound Name1-(2,2-dibromo-1,1-difluoroethoxy)propane
PubChem CID134922201
Molecular FormulaC5H8Br2F2O
Molecular Weight281.92 g/mol
Exact Mass279.89
IUPAC Name1-(2,2-dibromo-1,1-difluoroethoxy)propane
SMILESCCCOC(F)(F)C(Br)Br
InChIInChI=1S/C5H8Br2F2O/c1-2-3-10-5(8,9)4(6)7/h4H,2-3H2,1H3
InChIKeyWZIOPSXRTDGJHX-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.92
LogP ≤ 53.12
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 1-(2,2-dibromo-1,1-difluoroethoxy)propane?
The IUPAC name of 1-(2,2-dibromo-1,1-difluoroethoxy)propane (CID 134922201) is 1-(2,2-dibromo-1,1-difluoroethoxy)propane.
What is the SMILES notation for 1-(2,2-dibromo-1,1-difluoroethoxy)propane?
The canonical SMILES for 1-(2,2-dibromo-1,1-difluoroethoxy)propane is CCCOC(F)(F)C(Br)Br.
What is the InChIKey of 1-(2,2-dibromo-1,1-difluoroethoxy)propane?
The InChIKey is WZIOPSXRTDGJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Br2F2O/c1-2-3-10-5(8,9)4(6)7/h4H,2-3H2,1H3.
What are the key properties of 1-(2,2-dibromo-1,1-difluoroethoxy)propane?
1-(2,2-dibromo-1,1-difluoroethoxy)propane has a molecular weight of 281.92 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dibromo-1,1-difluoroethoxy)propane is sourced from PubChem (CID 134922201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).