5-(bromomethyl)-2-(difluoromethyl)-2-methyloxolane

C7H11BrF2O — CID 164661558

IUPAC5-(bromomethyl)-2-(difluoromethyl)-2-methyloxolane
SMILESCC1(C(F)F)CCC(CBr)O1
InChIInChI=1S/C7H11BrF2O/c1-7(6(9)10)3-2-5(4-8)11-7/h5-6H,2-4H2,1H3
InChIKeyIJEZSAIYEUBNSK-UHFFFAOYSA-N
MW229.06 g/mol
LogP2.58
Rot. Bonds2

About 5-(bromomethyl)-2-(difluoromethyl)-2-methyloxolane

5-(bromomethyl)-2-(difluoromethyl)-2-methyloxolane (PubChem CID 164661558) has the molecular formula C7H11BrF2O and a molecular weight of 229.06 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(difluoromethyl)-2-methyloxolane.

Molecular Properties

Compound Name5-(bromomethyl)-2-(difluoromethyl)-2-methyloxolane
PubChem CID164661558
Molecular FormulaC7H11BrF2O
Molecular Weight229.06 g/mol
Exact Mass228.00
IUPAC Name5-(bromomethyl)-2-(difluoromethyl)-2-methyloxolane
SMILESCC1(C(F)F)CCC(CBr)O1
InChIInChI=1S/C7H11BrF2O/c1-7(6(9)10)3-2-5(4-8)11-7/h5-6H,2-4H2,1H3
InChIKeyIJEZSAIYEUBNSK-UHFFFAOYSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.06
LogP ≤ 52.58
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 5-(bromomethyl)-2-(difluoromethyl)-2-methyloxolane?
The IUPAC name of 5-(bromomethyl)-2-(difluoromethyl)-2-methyloxolane (CID 164661558) is 5-(bromomethyl)-2-(difluoromethyl)-2-methyloxolane.
What is the SMILES notation for 5-(bromomethyl)-2-(difluoromethyl)-2-methyloxolane?
The canonical SMILES for 5-(bromomethyl)-2-(difluoromethyl)-2-methyloxolane is CC1(C(F)F)CCC(CBr)O1.
What is the InChIKey of 5-(bromomethyl)-2-(difluoromethyl)-2-methyloxolane?
The InChIKey is IJEZSAIYEUBNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrF2O/c1-7(6(9)10)3-2-5(4-8)11-7/h5-6H,2-4H2,1H3.
What are the key properties of 5-(bromomethyl)-2-(difluoromethyl)-2-methyloxolane?
5-(bromomethyl)-2-(difluoromethyl)-2-methyloxolane has a molecular weight of 229.06 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(difluoromethyl)-2-methyloxolane is sourced from PubChem (CID 164661558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).