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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Related Compounds

Roflurane
CID 12676
2-Bromo-1,1-difluoro-1-methoxyethane
CID 101028395
1-Bromo-2-(trifluoromethoxy)ethane
CID 12846025
1-Bromo-2-(difluoromethoxy)ethane
CID 84717573
2,2-Dibromo-1-ethoxy-1,1-difluoroethane
CID 119095856
1,2-Dibromo-1,1,2-trifluoro-2-methoxyethane
CID 131848701
1-Bromo-1-(trifluoromethoxy)ethane
CID 89188692
2-(Dibromomethoxy)-1,1-difluoroethane
CID 91254307
1-Bromo-1-(difluoromethoxy)ethane
CID 170245693
1,1-Dibromo-1,2,2-trifluoro-2-methoxyethane
CID 15921675
(2S)-2-bromo-1,1,2-trifluoro-1-methoxyethane
CID 76965044
(2R)-2-bromo-1,1,2-trifluoro-1-methoxyethane
CID 76965045

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).