2-bromo-1-ethoxy-1,1-difluoroethane

C4H7BrF2O — CID 119095764

IUPAC2-bromo-1-ethoxy-1,1-difluoroethane
SMILESCCOC(F)(F)CBr
InChIInChI=1S/C4H7BrF2O/c1-2-8-4(6,7)3-5/h2-3H2,1H3
InChIKeyWRPOQTGDLMFFCH-UHFFFAOYSA-N
MW189.00 g/mol
LogP2.01
Rot. Bonds3

About 2-bromo-1-ethoxy-1,1-difluoroethane

2-bromo-1-ethoxy-1,1-difluoroethane (PubChem CID 119095764) has the molecular formula C4H7BrF2O and a molecular weight of 189.00 g/mol. Its IUPAC name is 2-bromo-1-ethoxy-1,1-difluoroethane.

Molecular Properties

Compound Name2-bromo-1-ethoxy-1,1-difluoroethane
PubChem CID119095764
Molecular FormulaC4H7BrF2O
Molecular Weight189.00 g/mol
Exact Mass187.96
IUPAC Name2-bromo-1-ethoxy-1,1-difluoroethane
SMILESCCOC(F)(F)CBr
InChIInChI=1S/C4H7BrF2O/c1-2-8-4(6,7)3-5/h2-3H2,1H3
InChIKeyWRPOQTGDLMFFCH-UHFFFAOYSA-N
XLogP2.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.00
LogP ≤ 52.01
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-bromo-1-ethoxy-1,1-difluoroethane?
The IUPAC name of 2-bromo-1-ethoxy-1,1-difluoroethane (CID 119095764) is 2-bromo-1-ethoxy-1,1-difluoroethane.
What is the SMILES notation for 2-bromo-1-ethoxy-1,1-difluoroethane?
The canonical SMILES for 2-bromo-1-ethoxy-1,1-difluoroethane is CCOC(F)(F)CBr.
What is the InChIKey of 2-bromo-1-ethoxy-1,1-difluoroethane?
The InChIKey is WRPOQTGDLMFFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7BrF2O/c1-2-8-4(6,7)3-5/h2-3H2,1H3.
What are the key properties of 2-bromo-1-ethoxy-1,1-difluoroethane?
2-bromo-1-ethoxy-1,1-difluoroethane has a molecular weight of 189.00 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-ethoxy-1,1-difluoroethane is sourced from PubChem (CID 119095764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).