2,2-dibromo-1,1-difluoro-1-methoxyethane

C3H4Br2F2O — CID 86181654

IUPAC2,2-dibromo-1,1-difluoro-1-methoxyethane
SMILESCOC(F)(F)C(Br)Br
InChIInChI=1S/C3H4Br2F2O/c1-8-3(6,7)2(4)5/h2H,1H3
InChIKeyKKECEOZNTVBIES-UHFFFAOYSA-N
MW253.87 g/mol
LogP2.34
Rot. Bonds2

About 2,2-dibromo-1,1-difluoro-1-methoxyethane

2,2-dibromo-1,1-difluoro-1-methoxyethane (PubChem CID 86181654) has the molecular formula C3H4Br2F2O and a molecular weight of 253.87 g/mol. Its IUPAC name is 2,2-dibromo-1,1-difluoro-1-methoxyethane.

Molecular Properties

Compound Name2,2-dibromo-1,1-difluoro-1-methoxyethane
PubChem CID86181654
Molecular FormulaC3H4Br2F2O
Molecular Weight253.87 g/mol
Exact Mass251.86
IUPAC Name2,2-dibromo-1,1-difluoro-1-methoxyethane
SMILESCOC(F)(F)C(Br)Br
InChIInChI=1S/C3H4Br2F2O/c1-8-3(6,7)2(4)5/h2H,1H3
InChIKeyKKECEOZNTVBIES-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2,2-dibromo-1,1-difluoro-1-methoxyethane?
The IUPAC name of 2,2-dibromo-1,1-difluoro-1-methoxyethane (CID 86181654) is 2,2-dibromo-1,1-difluoro-1-methoxyethane.
What is the SMILES notation for 2,2-dibromo-1,1-difluoro-1-methoxyethane?
The canonical SMILES for 2,2-dibromo-1,1-difluoro-1-methoxyethane is COC(F)(F)C(Br)Br.
What is the InChIKey of 2,2-dibromo-1,1-difluoro-1-methoxyethane?
The InChIKey is KKECEOZNTVBIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Br2F2O/c1-8-3(6,7)2(4)5/h2H,1H3.
What are the key properties of 2,2-dibromo-1,1-difluoro-1-methoxyethane?
2,2-dibromo-1,1-difluoro-1-methoxyethane has a molecular weight of 253.87 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromo-1,1-difluoro-1-methoxyethane is sourced from PubChem (CID 86181654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).