2-(4-chlorophenyl)-2-(2,2,2-trichloroethyl)oxirane

C10H8Cl4O — CID 15096575

IUPAC2-(4-chlorophenyl)-2-(2,2,2-trichloroethyl)oxirane
SMILESClc1ccc(C2(CC(Cl)(Cl)Cl)CO2)cc1
InChIInChI=1S/C10H8Cl4O/c11-8-3-1-7(2-4-8)9(6-15-9)5-10(12,13)14/h1-4H,5-6H2
InChIKeyKBVNUUKKWWOHCE-UHFFFAOYSA-N
MW285.99 g/mol
LogP4.33
Rot. Bonds2

About 2-(4-chlorophenyl)-2-(2,2,2-trichloroethyl)oxirane

2-(4-chlorophenyl)-2-(2,2,2-trichloroethyl)oxirane (PubChem CID 15096575) has the molecular formula C10H8Cl4O and a molecular weight of 285.99 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(2,2,2-trichloroethyl)oxirane.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(2,2,2-trichloroethyl)oxirane
PubChem CID15096575
Molecular FormulaC10H8Cl4O
Molecular Weight285.99 g/mol
Exact Mass283.93
IUPAC Name2-(4-chlorophenyl)-2-(2,2,2-trichloroethyl)oxirane
SMILESClc1ccc(C2(CC(Cl)(Cl)Cl)CO2)cc1
InChIInChI=1S/C10H8Cl4O/c11-8-3-1-7(2-4-8)9(6-15-9)5-10(12,13)14/h1-4H,5-6H2
InChIKeyKBVNUUKKWWOHCE-UHFFFAOYSA-N
XLogP4.33
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.99
LogP ≤ 54.33
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-(4-chlorophenyl)-2-(2,2,2-trichloroethyl)oxirane?
The IUPAC name of 2-(4-chlorophenyl)-2-(2,2,2-trichloroethyl)oxirane (CID 15096575) is 2-(4-chlorophenyl)-2-(2,2,2-trichloroethyl)oxirane.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(2,2,2-trichloroethyl)oxirane?
The canonical SMILES for 2-(4-chlorophenyl)-2-(2,2,2-trichloroethyl)oxirane is Clc1ccc(C2(CC(Cl)(Cl)Cl)CO2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(2,2,2-trichloroethyl)oxirane?
The InChIKey is KBVNUUKKWWOHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl4O/c11-8-3-1-7(2-4-8)9(6-15-9)5-10(12,13)14/h1-4H,5-6H2.
What are the key properties of 2-(4-chlorophenyl)-2-(2,2,2-trichloroethyl)oxirane?
2-(4-chlorophenyl)-2-(2,2,2-trichloroethyl)oxirane has a molecular weight of 285.99 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(2,2,2-trichloroethyl)oxirane is sourced from PubChem (CID 15096575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).