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

C15H12ClFO — CID 22364625

IUPAC3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-methyloxirane
SMILESCC1(c2ccc(F)cc2)OC1c1ccccc1Cl
InChIInChI=1S/C15H12ClFO/c1-15(10-6-8-11(17)9-7-10)14(18-15)12-4-2-3-5-13(12)16/h2-9,14H,1H3
InChIKeyHFTVWXLLEWNTOM-UHFFFAOYSA-N
MW262.71 g/mol
LogP4.47
Rot. Bonds2

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

3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-methyloxirane (PubChem CID 22364625) has the molecular formula C15H12ClFO and a molecular weight of 262.71 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-methyloxirane.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-methyloxirane
PubChem CID22364625
Molecular FormulaC15H12ClFO
Molecular Weight262.71 g/mol
Exact Mass262.06
IUPAC Name3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-methyloxirane
SMILESCC1(c2ccc(F)cc2)OC1c1ccccc1Cl
InChIInChI=1S/C15H12ClFO/c1-15(10-6-8-11(17)9-7-10)14(18-15)12-4-2-3-5-13(12)16/h2-9,14H,1H3
InChIKeyHFTVWXLLEWNTOM-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
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 3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-methyloxirane?
The IUPAC name of 3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-methyloxirane (CID 22364625) is 3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-methyloxirane.
What is the SMILES notation for 3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-methyloxirane?
The canonical SMILES for 3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-methyloxirane is CC1(c2ccc(F)cc2)OC1c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-methyloxirane?
The InChIKey is HFTVWXLLEWNTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO/c1-15(10-6-8-11(17)9-7-10)14(18-15)12-4-2-3-5-13(12)16/h2-9,14H,1H3.
What are the key properties of 3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-methyloxirane?
3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-methyloxirane has a molecular weight of 262.71 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-methyloxirane is sourced from PubChem (CID 22364625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).