2-(dibromomethoxy)-1,1-difluoroethane

C3H4Br2F2O — CID 91254307

IUPAC2-(dibromomethoxy)-1,1-difluoroethane
SMILESFC(F)COC(Br)Br
InChIInChI=1S/C3H4Br2F2O/c4-3(5)8-1-2(6)7/h2-3H,1H2
InChIKeyADMYPQVIIHIODX-UHFFFAOYSA-N
MW253.87 g/mol
LogP2.34
Rot. Bonds3

About 2-(dibromomethoxy)-1,1-difluoroethane

2-(dibromomethoxy)-1,1-difluoroethane (PubChem CID 91254307) has the molecular formula C3H4Br2F2O and a molecular weight of 253.87 g/mol. Its IUPAC name is 2-(dibromomethoxy)-1,1-difluoroethane.

Molecular Properties

Compound Name2-(dibromomethoxy)-1,1-difluoroethane
PubChem CID91254307
Molecular FormulaC3H4Br2F2O
Molecular Weight253.87 g/mol
Exact Mass251.86
IUPAC Name2-(dibromomethoxy)-1,1-difluoroethane
SMILESFC(F)COC(Br)Br
InChIInChI=1S/C3H4Br2F2O/c4-3(5)8-1-2(6)7/h2-3H,1H2
InChIKeyADMYPQVIIHIODX-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.87
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Bromo-2-(trifluoromethoxy)ethane
CID 12846025
1-Bromo-2-(difluoromethoxy)ethane
CID 84717573
2,2-Dibromo-1,1-difluoroethyl methyl ether
CID 86181654
2-(1,2-Dibromoethoxy)-1,1,1-trifluoroethane
CID 272687
[Bromo(difluoro)methoxy]ethane
CID 54465123
3-(Bromomethoxy)-1,1,1-trifluoropropane
CID 59366616
1-Bromo-1-(trifluoromethoxy)ethane
CID 89188692
2-(Bromomethoxy)-1,1,1-trifluoroethane
CID 103691523
1-Bromo-1-(difluoromethoxy)ethane
CID 170245693
2-Bromo-1,1,1-trifluoro-2-methoxyethane
CID 84733067
1,2-Dibromo-1-(trifluoromethoxy)ethane
CID 154268972

Frequently Asked Questions

What is the IUPAC name of 2-(dibromomethoxy)-1,1-difluoroethane?
The IUPAC name of 2-(dibromomethoxy)-1,1-difluoroethane (CID 91254307) is 2-(dibromomethoxy)-1,1-difluoroethane.
What is the SMILES notation for 2-(dibromomethoxy)-1,1-difluoroethane?
The canonical SMILES for 2-(dibromomethoxy)-1,1-difluoroethane is FC(F)COC(Br)Br.
What is the InChIKey of 2-(dibromomethoxy)-1,1-difluoroethane?
The InChIKey is ADMYPQVIIHIODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Br2F2O/c4-3(5)8-1-2(6)7/h2-3H,1H2.
What are the key properties of 2-(dibromomethoxy)-1,1-difluoroethane?
2-(dibromomethoxy)-1,1-difluoroethane has a molecular weight of 253.87 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibromomethoxy)-1,1-difluoroethane is sourced from PubChem (CID 91254307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).