2-(bromomethyl)-5-(difluoromethyl)-2,5-dimethyloxolane

C8H13BrF2O — CID 164661560

IUPAC2-(bromomethyl)-5-(difluoromethyl)-2,5-dimethyloxolane
SMILESCC1(CBr)CCC(C)(C(F)F)O1
InChIInChI=1S/C8H13BrF2O/c1-7(5-9)3-4-8(2,12-7)6(10)11/h6H,3-5H2,1-2H3
InChIKeyPHMATLACGMAFNV-UHFFFAOYSA-N
MW243.09 g/mol
LogP2.97
Rot. Bonds2

About 2-(bromomethyl)-5-(difluoromethyl)-2,5-dimethyloxolane

2-(bromomethyl)-5-(difluoromethyl)-2,5-dimethyloxolane (PubChem CID 164661560) has the molecular formula C8H13BrF2O and a molecular weight of 243.09 g/mol. Its IUPAC name is 2-(bromomethyl)-5-(difluoromethyl)-2,5-dimethyloxolane.

Molecular Properties

Compound Name2-(bromomethyl)-5-(difluoromethyl)-2,5-dimethyloxolane
PubChem CID164661560
Molecular FormulaC8H13BrF2O
Molecular Weight243.09 g/mol
Exact Mass242.01
IUPAC Name2-(bromomethyl)-5-(difluoromethyl)-2,5-dimethyloxolane
SMILESCC1(CBr)CCC(C)(C(F)F)O1
InChIInChI=1S/C8H13BrF2O/c1-7(5-9)3-4-8(2,12-7)6(10)11/h6H,3-5H2,1-2H3
InChIKeyPHMATLACGMAFNV-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 52.97
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-(bromomethyl)-5-(difluoromethyl)-2,5-dimethyloxolane?
The IUPAC name of 2-(bromomethyl)-5-(difluoromethyl)-2,5-dimethyloxolane (CID 164661560) is 2-(bromomethyl)-5-(difluoromethyl)-2,5-dimethyloxolane.
What is the SMILES notation for 2-(bromomethyl)-5-(difluoromethyl)-2,5-dimethyloxolane?
The canonical SMILES for 2-(bromomethyl)-5-(difluoromethyl)-2,5-dimethyloxolane is CC1(CBr)CCC(C)(C(F)F)O1.
What is the InChIKey of 2-(bromomethyl)-5-(difluoromethyl)-2,5-dimethyloxolane?
The InChIKey is PHMATLACGMAFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrF2O/c1-7(5-9)3-4-8(2,12-7)6(10)11/h6H,3-5H2,1-2H3.
What are the key properties of 2-(bromomethyl)-5-(difluoromethyl)-2,5-dimethyloxolane?
2-(bromomethyl)-5-(difluoromethyl)-2,5-dimethyloxolane has a molecular weight of 243.09 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-(difluoromethyl)-2,5-dimethyloxolane is sourced from PubChem (CID 164661560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).