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

C7H11BrF2O — CID 165446302

IUPAC3-(bromomethyl)-3-(2,2-difluoroethyl)oxolane
SMILESFC(F)CC1(CBr)CCOC1
InChIInChI=1S/C7H11BrF2O/c8-4-7(3-6(9)10)1-2-11-5-7/h6H,1-5H2
InChIKeyALMFSFQCUSQUQF-UHFFFAOYSA-N
MW229.06 g/mol
LogP2.44
Rot. Bonds3

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

3-(bromomethyl)-3-(2,2-difluoroethyl)oxolane (PubChem CID 165446302) has the molecular formula C7H11BrF2O and a molecular weight of 229.06 g/mol. Its IUPAC name is 3-(bromomethyl)-3-(2,2-difluoroethyl)oxolane.

Molecular Properties

Compound Name3-(bromomethyl)-3-(2,2-difluoroethyl)oxolane
PubChem CID165446302
Molecular FormulaC7H11BrF2O
Molecular Weight229.06 g/mol
Exact Mass228.00
IUPAC Name3-(bromomethyl)-3-(2,2-difluoroethyl)oxolane
SMILESFC(F)CC1(CBr)CCOC1
InChIInChI=1S/C7H11BrF2O/c8-4-7(3-6(9)10)1-2-11-5-7/h6H,1-5H2
InChIKeyALMFSFQCUSQUQF-UHFFFAOYSA-N
XLogP2.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.06
LogP ≤ 52.44
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

3-(bromomethyl)-3-(4-methylpentyl)oxolane
CID 83169759
3-(bromomethyl)-3-[(3,5-difluorophenyl)methyl]oxolane
CID 105410937
3-(bromomethyl)-3-nonyloxolane
CID 66050745
3-(bromomethyl)-3-(2-methylsulfinylethyl)oxolane
CID 165442456
3-(bromomethyl)-3-(2-ethylhexyl)oxane
CID 66042471
4-(bromomethyl)-4-(2-methylpentyl)oxane
CID 66049300
2-[[3-(bromomethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.5]decane
CID 102902198
3-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methyl]oxolane
CID 66042036
3-(bromomethyl)-3-(2-thiophen-2-ylethyl)oxolane
CID 66048547
3-(bromomethyl)-3-[(2-methylphenyl)methyl]oxolane
CID 66048541
3-(bromomethyl)-3-[(3-chloro-2-fluorophenyl)methyl]oxolane
CID 102863787
3-(bromomethyl)-3-[(2-chloro-3-fluorophenyl)methyl]oxolane
CID 112654905

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-3-(2,2-difluoroethyl)oxolane?
The IUPAC name of 3-(bromomethyl)-3-(2,2-difluoroethyl)oxolane (CID 165446302) is 3-(bromomethyl)-3-(2,2-difluoroethyl)oxolane.
What is the SMILES notation for 3-(bromomethyl)-3-(2,2-difluoroethyl)oxolane?
The canonical SMILES for 3-(bromomethyl)-3-(2,2-difluoroethyl)oxolane is FC(F)CC1(CBr)CCOC1.
What is the InChIKey of 3-(bromomethyl)-3-(2,2-difluoroethyl)oxolane?
The InChIKey is ALMFSFQCUSQUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrF2O/c8-4-7(3-6(9)10)1-2-11-5-7/h6H,1-5H2.
What are the key properties of 3-(bromomethyl)-3-(2,2-difluoroethyl)oxolane?
3-(bromomethyl)-3-(2,2-difluoroethyl)oxolane has a molecular weight of 229.06 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-3-(2,2-difluoroethyl)oxolane is sourced from PubChem (CID 165446302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).