2-(bromomethyl)-2-(2,2-difluoropropyl)oxolane

C8H13BrF2O — CID 165446154

IUPAC2-(bromomethyl)-2-(2,2-difluoropropyl)oxolane
SMILESCC(F)(F)CC1(CBr)CCCO1
InChIInChI=1S/C8H13BrF2O/c1-7(10,11)5-8(6-9)3-2-4-12-8/h2-6H2,1H3
InChIKeyJYAYQXRKTNVNOF-UHFFFAOYSA-N
MW243.09 g/mol
LogP2.98
Rot. Bonds3

About 2-(bromomethyl)-2-(2,2-difluoropropyl)oxolane

2-(bromomethyl)-2-(2,2-difluoropropyl)oxolane (PubChem CID 165446154) has the molecular formula C8H13BrF2O and a molecular weight of 243.09 g/mol. Its IUPAC name is 2-(bromomethyl)-2-(2,2-difluoropropyl)oxolane.

Molecular Properties

Compound Name2-(bromomethyl)-2-(2,2-difluoropropyl)oxolane
PubChem CID165446154
Molecular FormulaC8H13BrF2O
Molecular Weight243.09 g/mol
Exact Mass242.01
IUPAC Name2-(bromomethyl)-2-(2,2-difluoropropyl)oxolane
SMILESCC(F)(F)CC1(CBr)CCCO1
InChIInChI=1S/C8H13BrF2O/c1-7(10,11)5-8(6-9)3-2-4-12-8/h2-6H2,1H3
InChIKeyJYAYQXRKTNVNOF-UHFFFAOYSA-N
XLogP2.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 52.98
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)-2-(2,2-difluoropropyl)oxolane?
The IUPAC name of 2-(bromomethyl)-2-(2,2-difluoropropyl)oxolane (CID 165446154) is 2-(bromomethyl)-2-(2,2-difluoropropyl)oxolane.
What is the SMILES notation for 2-(bromomethyl)-2-(2,2-difluoropropyl)oxolane?
The canonical SMILES for 2-(bromomethyl)-2-(2,2-difluoropropyl)oxolane is CC(F)(F)CC1(CBr)CCCO1.
What is the InChIKey of 2-(bromomethyl)-2-(2,2-difluoropropyl)oxolane?
The InChIKey is JYAYQXRKTNVNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrF2O/c1-7(10,11)5-8(6-9)3-2-4-12-8/h2-6H2,1H3.
What are the key properties of 2-(bromomethyl)-2-(2,2-difluoropropyl)oxolane?
2-(bromomethyl)-2-(2,2-difluoropropyl)oxolane has a molecular weight of 243.09 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-2-(2,2-difluoropropyl)oxolane is sourced from PubChem (CID 165446154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).