2-(bromomethyl)-2-(2,2-difluoroethyl)-4-methyloxolane

C8H13BrF2O — CID 165445842

IUPAC2-(bromomethyl)-2-(2,2-difluoroethyl)-4-methyloxolane
SMILESCC1COC(CBr)(CC(F)F)C1
InChIInChI=1S/C8H13BrF2O/c1-6-2-8(5-9,12-4-6)3-7(10)11/h6-7H,2-5H2,1H3
InChIKeyJVQOKIFDWGDVQW-UHFFFAOYSA-N
MW243.09 g/mol
LogP2.83
Rot. Bonds3

About 2-(bromomethyl)-2-(2,2-difluoroethyl)-4-methyloxolane

2-(bromomethyl)-2-(2,2-difluoroethyl)-4-methyloxolane (PubChem CID 165445842) has the molecular formula C8H13BrF2O and a molecular weight of 243.09 g/mol. Its IUPAC name is 2-(bromomethyl)-2-(2,2-difluoroethyl)-4-methyloxolane.

Molecular Properties

Compound Name2-(bromomethyl)-2-(2,2-difluoroethyl)-4-methyloxolane
PubChem CID165445842
Molecular FormulaC8H13BrF2O
Molecular Weight243.09 g/mol
Exact Mass242.01
IUPAC Name2-(bromomethyl)-2-(2,2-difluoroethyl)-4-methyloxolane
SMILESCC1COC(CBr)(CC(F)F)C1
InChIInChI=1S/C8H13BrF2O/c1-6-2-8(5-9,12-4-6)3-7(10)11/h6-7H,2-5H2,1H3
InChIKeyJVQOKIFDWGDVQW-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(2-Bromoethyl)-2,2-dimethyloxolane
CID 137917421
3-(Bromomethyl)-4-(3-bromo-2,2,3,3-tetrafluoropropyl)oxolane
CID 10066942
2-Bromo-5-ethyl-3-fluoro-4-methyloxolane
CID 20612596
4-Ethyl-2-methyl-2-(trifluoromethyl)oxolane
CID 57682252
(2S,4S,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane
CID 58049085
(4S,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane
CID 58049090
(4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane
CID 58302150
(3S,4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane
CID 58521211
(2R,3R,4R,5R)-2-bromo-5-ethyl-3-fluoro-3,4-dimethyloxolane
CID 59567413
(2S,3S,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane
CID 60062257
(2R,3R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane
CID 68198843
(2R,4R,5R)-2-bromo-5-ethyl-3,3-difluoro-4-methyloxolane
CID 89944005

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-2-(2,2-difluoroethyl)-4-methyloxolane?
The IUPAC name of 2-(bromomethyl)-2-(2,2-difluoroethyl)-4-methyloxolane (CID 165445842) is 2-(bromomethyl)-2-(2,2-difluoroethyl)-4-methyloxolane.
What is the SMILES notation for 2-(bromomethyl)-2-(2,2-difluoroethyl)-4-methyloxolane?
The canonical SMILES for 2-(bromomethyl)-2-(2,2-difluoroethyl)-4-methyloxolane is CC1COC(CBr)(CC(F)F)C1.
What is the InChIKey of 2-(bromomethyl)-2-(2,2-difluoroethyl)-4-methyloxolane?
The InChIKey is JVQOKIFDWGDVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrF2O/c1-6-2-8(5-9,12-4-6)3-7(10)11/h6-7H,2-5H2,1H3.
What are the key properties of 2-(bromomethyl)-2-(2,2-difluoroethyl)-4-methyloxolane?
2-(bromomethyl)-2-(2,2-difluoroethyl)-4-methyloxolane has a molecular weight of 243.09 g/mol, XLogP of 2.83, 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-difluoroethyl)-4-methyloxolane is sourced from PubChem (CID 165445842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).