2-(5-bromo-2-fluorophenyl)-3-(chloromethyl)oxolane

C11H11BrClFO — CID 79373521

IUPAC2-(5-bromo-2-fluorophenyl)-3-(chloromethyl)oxolane
SMILESFc1ccc(Br)cc1C1OCCC1CCl
InChIInChI=1S/C11H11BrClFO/c12-8-1-2-10(14)9(5-8)11-7(6-13)3-4-15-11/h1-2,5,7,11H,3-4,6H2
InChIKeyNHZIOKPFBRDUKO-UHFFFAOYSA-N
MW293.56 g/mol
LogP3.90
Rot. Bonds2

About 2-(5-bromo-2-fluorophenyl)-3-(chloromethyl)oxolane

2-(5-bromo-2-fluorophenyl)-3-(chloromethyl)oxolane (PubChem CID 79373521) has the molecular formula C11H11BrClFO and a molecular weight of 293.56 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-3-(chloromethyl)oxolane.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-3-(chloromethyl)oxolane
PubChem CID79373521
Molecular FormulaC11H11BrClFO
Molecular Weight293.56 g/mol
Exact Mass291.97
IUPAC Name2-(5-bromo-2-fluorophenyl)-3-(chloromethyl)oxolane
SMILESFc1ccc(Br)cc1C1OCCC1CCl
InChIInChI=1S/C11H11BrClFO/c12-8-1-2-10(14)9(5-8)11-7(6-13)3-4-15-11/h1-2,5,7,11H,3-4,6H2
InChIKeyNHZIOKPFBRDUKO-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.56
LogP ≤ 53.90
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-(5-bromo-2-fluorophenyl)-3-(chloromethyl)oxolane?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-3-(chloromethyl)oxolane (CID 79373521) is 2-(5-bromo-2-fluorophenyl)-3-(chloromethyl)oxolane.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-3-(chloromethyl)oxolane?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-3-(chloromethyl)oxolane is Fc1ccc(Br)cc1C1OCCC1CCl.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-3-(chloromethyl)oxolane?
The InChIKey is NHZIOKPFBRDUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClFO/c12-8-1-2-10(14)9(5-8)11-7(6-13)3-4-15-11/h1-2,5,7,11H,3-4,6H2.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-3-(chloromethyl)oxolane?
2-(5-bromo-2-fluorophenyl)-3-(chloromethyl)oxolane has a molecular weight of 293.56 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-3-(chloromethyl)oxolane is sourced from PubChem (CID 79373521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).