2-(bromomethyl)-5-(3-chloro-4-fluorophenyl)oxolane

C11H11BrClFO — CID 130582503

IUPAC2-(bromomethyl)-5-(3-chloro-4-fluorophenyl)oxolane
SMILESFc1ccc(C2CCC(CBr)O2)cc1Cl
InChIInChI=1S/C11H11BrClFO/c12-6-8-2-4-11(15-8)7-1-3-10(14)9(13)5-7/h1,3,5,8,11H,2,4,6H2
InChIKeyBYAYPMYPFQXCMY-UHFFFAOYSA-N
MW293.56 g/mol
LogP4.09
Rot. Bonds2

About 2-(bromomethyl)-5-(3-chloro-4-fluorophenyl)oxolane

2-(bromomethyl)-5-(3-chloro-4-fluorophenyl)oxolane (PubChem CID 130582503) has the molecular formula C11H11BrClFO and a molecular weight of 293.56 g/mol. Its IUPAC name is 2-(bromomethyl)-5-(3-chloro-4-fluorophenyl)oxolane.

Molecular Properties

Compound Name2-(bromomethyl)-5-(3-chloro-4-fluorophenyl)oxolane
PubChem CID130582503
Molecular FormulaC11H11BrClFO
Molecular Weight293.56 g/mol
Exact Mass291.97
IUPAC Name2-(bromomethyl)-5-(3-chloro-4-fluorophenyl)oxolane
SMILESFc1ccc(C2CCC(CBr)O2)cc1Cl
InChIInChI=1S/C11H11BrClFO/c12-6-8-2-4-11(15-8)7-1-3-10(14)9(13)5-7/h1,3,5,8,11H,2,4,6H2
InChIKeyBYAYPMYPFQXCMY-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
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)-5-(3-chloro-4-fluorophenyl)oxolane?
The IUPAC name of 2-(bromomethyl)-5-(3-chloro-4-fluorophenyl)oxolane (CID 130582503) is 2-(bromomethyl)-5-(3-chloro-4-fluorophenyl)oxolane.
What is the SMILES notation for 2-(bromomethyl)-5-(3-chloro-4-fluorophenyl)oxolane?
The canonical SMILES for 2-(bromomethyl)-5-(3-chloro-4-fluorophenyl)oxolane is Fc1ccc(C2CCC(CBr)O2)cc1Cl.
What is the InChIKey of 2-(bromomethyl)-5-(3-chloro-4-fluorophenyl)oxolane?
The InChIKey is BYAYPMYPFQXCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClFO/c12-6-8-2-4-11(15-8)7-1-3-10(14)9(13)5-7/h1,3,5,8,11H,2,4,6H2.
What are the key properties of 2-(bromomethyl)-5-(3-chloro-4-fluorophenyl)oxolane?
2-(bromomethyl)-5-(3-chloro-4-fluorophenyl)oxolane has a molecular weight of 293.56 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-(3-chloro-4-fluorophenyl)oxolane is sourced from PubChem (CID 130582503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).