2-(chloromethyl)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxirane

C15H11Cl2FO — CID 45356826

IUPAC2-(chloromethyl)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxirane
SMILESFc1ccc(C2(CCl)OC2c2ccccc2Cl)cc1
InChIInChI=1S/C15H11Cl2FO/c16-9-15(10-5-7-11(18)8-6-10)14(19-15)12-3-1-2-4-13(12)17/h1-8,14H,9H2
InChIKeyGWTYLEOASXQERM-UHFFFAOYSA-N
MW297.16 g/mol
LogP4.68
Rot. Bonds3

About 2-(chloromethyl)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxirane

2-(chloromethyl)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxirane (PubChem CID 45356826) has the molecular formula C15H11Cl2FO and a molecular weight of 297.16 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxirane.

Molecular Properties

Compound Name2-(chloromethyl)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxirane
PubChem CID45356826
Molecular FormulaC15H11Cl2FO
Molecular Weight297.16 g/mol
Exact Mass296.02
IUPAC Name2-(chloromethyl)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxirane
SMILESFc1ccc(C2(CCl)OC2c2ccccc2Cl)cc1
InChIInChI=1S/C15H11Cl2FO/c16-9-15(10-5-7-11(18)8-6-10)14(19-15)12-3-1-2-4-13(12)17/h1-8,14H,9H2
InChIKeyGWTYLEOASXQERM-UHFFFAOYSA-N
XLogP4.68
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxirane?
The IUPAC name of 2-(chloromethyl)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxirane (CID 45356826) is 2-(chloromethyl)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxirane.
What is the SMILES notation for 2-(chloromethyl)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxirane?
The canonical SMILES for 2-(chloromethyl)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxirane is Fc1ccc(C2(CCl)OC2c2ccccc2Cl)cc1.
What is the InChIKey of 2-(chloromethyl)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxirane?
The InChIKey is GWTYLEOASXQERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO/c16-9-15(10-5-7-11(18)8-6-10)14(19-15)12-3-1-2-4-13(12)17/h1-8,14H,9H2.
What are the key properties of 2-(chloromethyl)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxirane?
2-(chloromethyl)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxirane has a molecular weight of 297.16 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxirane is sourced from PubChem (CID 45356826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).