3-(2-bromo-2,2-difluoroethyl)-4-(bromomethyl)oxolane

C7H10Br2F2O — CID 10425360

IUPAC3-(2-bromo-2,2-difluoroethyl)-4-(bromomethyl)oxolane
SMILESFC(F)(Br)CC1COCC1CBr
InChIInChI=1S/C7H10Br2F2O/c8-2-6-4-12-3-5(6)1-7(9,10)11/h5-6H,1-4H2
InChIKeyXAGSWSOKNXFEJX-UHFFFAOYSA-N
MW307.96 g/mol
LogP3.02
Rot. Bonds3

About 3-(2-bromo-2,2-difluoroethyl)-4-(bromomethyl)oxolane

3-(2-bromo-2,2-difluoroethyl)-4-(bromomethyl)oxolane (PubChem CID 10425360) has the molecular formula C7H10Br2F2O and a molecular weight of 307.96 g/mol. Its IUPAC name is 3-(2-bromo-2,2-difluoroethyl)-4-(bromomethyl)oxolane.

Molecular Properties

Compound Name3-(2-bromo-2,2-difluoroethyl)-4-(bromomethyl)oxolane
PubChem CID10425360
Molecular FormulaC7H10Br2F2O
Molecular Weight307.96 g/mol
Exact Mass305.91
IUPAC Name3-(2-bromo-2,2-difluoroethyl)-4-(bromomethyl)oxolane
SMILESFC(F)(Br)CC1COCC1CBr
InChIInChI=1S/C7H10Br2F2O/c8-2-6-4-12-3-5(6)1-7(9,10)11/h5-6H,1-4H2
InChIKeyXAGSWSOKNXFEJX-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.96
LogP ≤ 53.02
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-2,2-difluoroethyl)-4-(bromomethyl)oxolane?
The IUPAC name of 3-(2-bromo-2,2-difluoroethyl)-4-(bromomethyl)oxolane (CID 10425360) is 3-(2-bromo-2,2-difluoroethyl)-4-(bromomethyl)oxolane.
What is the SMILES notation for 3-(2-bromo-2,2-difluoroethyl)-4-(bromomethyl)oxolane?
The canonical SMILES for 3-(2-bromo-2,2-difluoroethyl)-4-(bromomethyl)oxolane is FC(F)(Br)CC1COCC1CBr.
What is the InChIKey of 3-(2-bromo-2,2-difluoroethyl)-4-(bromomethyl)oxolane?
The InChIKey is XAGSWSOKNXFEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Br2F2O/c8-2-6-4-12-3-5(6)1-7(9,10)11/h5-6H,1-4H2.
What are the key properties of 3-(2-bromo-2,2-difluoroethyl)-4-(bromomethyl)oxolane?
3-(2-bromo-2,2-difluoroethyl)-4-(bromomethyl)oxolane has a molecular weight of 307.96 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-2,2-difluoroethyl)-4-(bromomethyl)oxolane is sourced from PubChem (CID 10425360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).