2-(4-chlorophenyl)-2-(4-fluorophenyl)-3-methyloxirane

C15H12ClFO — CID 117062925

IUPAC2-(4-chlorophenyl)-2-(4-fluorophenyl)-3-methyloxirane
SMILESCC1OC1(c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClFO/c1-10-15(18-10,11-2-6-13(16)7-3-11)12-4-8-14(17)9-5-12/h2-10H,1H3
InChIKeyWNEFOYGMKWDTFE-UHFFFAOYSA-N
MW262.71 g/mol
LogP4.14
Rot. Bonds2

About 2-(4-chlorophenyl)-2-(4-fluorophenyl)-3-methyloxirane

2-(4-chlorophenyl)-2-(4-fluorophenyl)-3-methyloxirane (PubChem CID 117062925) has the molecular formula C15H12ClFO and a molecular weight of 262.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(4-fluorophenyl)-3-methyloxirane.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(4-fluorophenyl)-3-methyloxirane
PubChem CID117062925
Molecular FormulaC15H12ClFO
Molecular Weight262.71 g/mol
Exact Mass262.06
IUPAC Name2-(4-chlorophenyl)-2-(4-fluorophenyl)-3-methyloxirane
SMILESCC1OC1(c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClFO/c1-10-15(18-10,11-2-6-13(16)7-3-11)12-4-8-14(17)9-5-12/h2-10H,1H3
InChIKeyWNEFOYGMKWDTFE-UHFFFAOYSA-N
XLogP4.14
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-(4-fluorophenyl)-3-methyloxirane?
The IUPAC name of 2-(4-chlorophenyl)-2-(4-fluorophenyl)-3-methyloxirane (CID 117062925) is 2-(4-chlorophenyl)-2-(4-fluorophenyl)-3-methyloxirane.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(4-fluorophenyl)-3-methyloxirane?
The canonical SMILES for 2-(4-chlorophenyl)-2-(4-fluorophenyl)-3-methyloxirane is CC1OC1(c1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(4-fluorophenyl)-3-methyloxirane?
The InChIKey is WNEFOYGMKWDTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO/c1-10-15(18-10,11-2-6-13(16)7-3-11)12-4-8-14(17)9-5-12/h2-10H,1H3.
What are the key properties of 2-(4-chlorophenyl)-2-(4-fluorophenyl)-3-methyloxirane?
2-(4-chlorophenyl)-2-(4-fluorophenyl)-3-methyloxirane has a molecular weight of 262.71 g/mol, XLogP of 4.14, 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-(4-fluorophenyl)-3-methyloxirane is sourced from PubChem (CID 117062925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).