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

C11H11Cl2FO — CID 114455159

IUPAC2-(3-chloro-5-fluorophenyl)-3-(chloromethyl)oxolane
SMILESFc1cc(Cl)cc(C2OCCC2CCl)c1
InChIInChI=1S/C11H11Cl2FO/c12-6-7-1-2-15-11(7)8-3-9(13)5-10(14)4-8/h3-5,7,11H,1-2,6H2
InChIKeyILLSCQPWBPTKDT-UHFFFAOYSA-N
MW249.11 g/mol
LogP3.80
Rot. Bonds2

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

2-(3-chloro-5-fluorophenyl)-3-(chloromethyl)oxolane (PubChem CID 114455159) has the molecular formula C11H11Cl2FO and a molecular weight of 249.11 g/mol. Its IUPAC name is 2-(3-chloro-5-fluorophenyl)-3-(chloromethyl)oxolane.

Molecular Properties

Compound Name2-(3-chloro-5-fluorophenyl)-3-(chloromethyl)oxolane
PubChem CID114455159
Molecular FormulaC11H11Cl2FO
Molecular Weight249.11 g/mol
Exact Mass248.02
IUPAC Name2-(3-chloro-5-fluorophenyl)-3-(chloromethyl)oxolane
SMILESFc1cc(Cl)cc(C2OCCC2CCl)c1
InChIInChI=1S/C11H11Cl2FO/c12-6-7-1-2-15-11(7)8-3-9(13)5-10(14)4-8/h3-5,7,11H,1-2,6H2
InChIKeyILLSCQPWBPTKDT-UHFFFAOYSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 53.80
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-(3-chloro-5-fluorophenyl)-3-(chloromethyl)oxolane?
The IUPAC name of 2-(3-chloro-5-fluorophenyl)-3-(chloromethyl)oxolane (CID 114455159) is 2-(3-chloro-5-fluorophenyl)-3-(chloromethyl)oxolane.
What is the SMILES notation for 2-(3-chloro-5-fluorophenyl)-3-(chloromethyl)oxolane?
The canonical SMILES for 2-(3-chloro-5-fluorophenyl)-3-(chloromethyl)oxolane is Fc1cc(Cl)cc(C2OCCC2CCl)c1.
What is the InChIKey of 2-(3-chloro-5-fluorophenyl)-3-(chloromethyl)oxolane?
The InChIKey is ILLSCQPWBPTKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2FO/c12-6-7-1-2-15-11(7)8-3-9(13)5-10(14)4-8/h3-5,7,11H,1-2,6H2.
What are the key properties of 2-(3-chloro-5-fluorophenyl)-3-(chloromethyl)oxolane?
2-(3-chloro-5-fluorophenyl)-3-(chloromethyl)oxolane has a molecular weight of 249.11 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluorophenyl)-3-(chloromethyl)oxolane is sourced from PubChem (CID 114455159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).