2,2-dibromo-1-ethoxy-1,1-difluoroethane

C4H6Br2F2O — CID 119095856

IUPAC2,2-dibromo-1-ethoxy-1,1-difluoroethane
SMILESCCOC(F)(F)C(Br)Br
InChIInChI=1S/C4H6Br2F2O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3
InChIKeyMIRNLIVSILMFBF-UHFFFAOYSA-N
MW267.89 g/mol
LogP2.73
Rot. Bonds3

About 2,2-dibromo-1-ethoxy-1,1-difluoroethane

2,2-dibromo-1-ethoxy-1,1-difluoroethane (PubChem CID 119095856) has the molecular formula C4H6Br2F2O and a molecular weight of 267.89 g/mol. Its IUPAC name is 2,2-dibromo-1-ethoxy-1,1-difluoroethane.

Molecular Properties

Compound Name2,2-dibromo-1-ethoxy-1,1-difluoroethane
PubChem CID119095856
Molecular FormulaC4H6Br2F2O
Molecular Weight267.89 g/mol
Exact Mass265.88
IUPAC Name2,2-dibromo-1-ethoxy-1,1-difluoroethane
SMILESCCOC(F)(F)C(Br)Br
InChIInChI=1S/C4H6Br2F2O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3
InChIKeyMIRNLIVSILMFBF-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.89
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-dibromo-1-ethoxy-1,1-difluoroethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Bromo-1,1,2-trifluoroethyl ethyl ether
CID 136222
2-(2-Bromoethoxy)-1,1,1-trifluoroethane
CID 19828971
2-(2-Bromoethoxy)-1,1-difluoroethane
CID 75525671
2,2-Dibromo-1,1-difluoroethyl methyl ether
CID 86181654
2-Bromo-1-ethoxy-1,1-difluoroethane
CID 119095764
1-(2-Bromo-1,1,2-trifluoroethoxy)propane
CID 134920416
2,3-Dibromo-3-ethoxy-1,1,1-trifluoropropane
CID 10518283
1-(2-Bromo-1,1-difluoroethoxy)propane
CID 134920415
1-(2,2-Dibromo-1,1-difluoroethoxy)propane
CID 134922201
2-(1,2-Dibromoethoxy)-1,1,1-trifluoroethane
CID 272687
(2S)-2-bromo-1-ethoxy-1,1,2-trifluoroethane
CID 637130
1,2-Dibromo-3-ethoxy-1,1-difluoropropane
CID 53993859

Frequently Asked Questions

What is the IUPAC name of 2,2-dibromo-1-ethoxy-1,1-difluoroethane?
The IUPAC name of 2,2-dibromo-1-ethoxy-1,1-difluoroethane (CID 119095856) is 2,2-dibromo-1-ethoxy-1,1-difluoroethane.
What is the SMILES notation for 2,2-dibromo-1-ethoxy-1,1-difluoroethane?
The canonical SMILES for 2,2-dibromo-1-ethoxy-1,1-difluoroethane is CCOC(F)(F)C(Br)Br.
What is the InChIKey of 2,2-dibromo-1-ethoxy-1,1-difluoroethane?
The InChIKey is MIRNLIVSILMFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Br2F2O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3.
What are the key properties of 2,2-dibromo-1-ethoxy-1,1-difluoroethane?
2,2-dibromo-1-ethoxy-1,1-difluoroethane has a molecular weight of 267.89 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromo-1-ethoxy-1,1-difluoroethane is sourced from PubChem (CID 119095856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).