3-(2-bromo-1,1-difluoroethyl)oxolane

C6H9BrF2O — CID 115028955

IUPAC3-(2-bromo-1,1-difluoroethyl)oxolane
SMILESFC(F)(CBr)C1CCOC1
InChIInChI=1S/C6H9BrF2O/c7-4-6(8,9)5-1-2-10-3-5/h5H,1-4H2
InChIKeyNUJNWPCOPQJYNS-UHFFFAOYSA-N
MW215.04 g/mol
LogP2.05
Rot. Bonds2

About 3-(2-bromo-1,1-difluoroethyl)oxolane

3-(2-bromo-1,1-difluoroethyl)oxolane (PubChem CID 115028955) has the molecular formula C6H9BrF2O and a molecular weight of 215.04 g/mol. Its IUPAC name is 3-(2-bromo-1,1-difluoroethyl)oxolane.

Molecular Properties

Compound Name3-(2-bromo-1,1-difluoroethyl)oxolane
PubChem CID115028955
Molecular FormulaC6H9BrF2O
Molecular Weight215.04 g/mol
Exact Mass213.98
IUPAC Name3-(2-bromo-1,1-difluoroethyl)oxolane
SMILESFC(F)(CBr)C1CCOC1
InChIInChI=1S/C6H9BrF2O/c7-4-6(8,9)5-1-2-10-3-5/h5H,1-4H2
InChIKeyNUJNWPCOPQJYNS-UHFFFAOYSA-N
XLogP2.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.04
LogP ≤ 52.05
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 3-(2-bromo-1,1-difluoroethyl)oxolane?
The IUPAC name of 3-(2-bromo-1,1-difluoroethyl)oxolane (CID 115028955) is 3-(2-bromo-1,1-difluoroethyl)oxolane.
What is the SMILES notation for 3-(2-bromo-1,1-difluoroethyl)oxolane?
The canonical SMILES for 3-(2-bromo-1,1-difluoroethyl)oxolane is FC(F)(CBr)C1CCOC1.
What is the InChIKey of 3-(2-bromo-1,1-difluoroethyl)oxolane?
The InChIKey is NUJNWPCOPQJYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrF2O/c7-4-6(8,9)5-1-2-10-3-5/h5H,1-4H2.
What are the key properties of 3-(2-bromo-1,1-difluoroethyl)oxolane?
3-(2-bromo-1,1-difluoroethyl)oxolane has a molecular weight of 215.04 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-1,1-difluoroethyl)oxolane is sourced from PubChem (CID 115028955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).