2-(4-fluorophenyl)-3-phenyloxirane

C14H11FO — CID 603783

IUPAC2-(4-fluorophenyl)-3-phenyloxirane
SMILESFc1ccc(C2OC2c2ccccc2)cc1
InChIInChI=1S/C14H11FO/c15-12-8-6-11(7-9-12)14-13(16-14)10-4-2-1-3-5-10/h1-9,13-14H
InChIKeyPABVKAQQWPSOPU-UHFFFAOYSA-N
MW214.24 g/mol
LogP3.64
Rot. Bonds2

About 2-(4-fluorophenyl)-3-phenyloxirane

2-(4-fluorophenyl)-3-phenyloxirane (PubChem CID 603783) has the molecular formula C14H11FO and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-phenyloxirane.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-phenyloxirane
PubChem CID603783
Molecular FormulaC14H11FO
Molecular Weight214.24 g/mol
Exact Mass214.08
IUPAC Name2-(4-fluorophenyl)-3-phenyloxirane
SMILESFc1ccc(C2OC2c2ccccc2)cc1
InChIInChI=1S/C14H11FO/c15-12-8-6-11(7-9-12)14-13(16-14)10-4-2-1-3-5-10/h1-9,13-14H
InChIKeyPABVKAQQWPSOPU-UHFFFAOYSA-N
XLogP3.64
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 53.64
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-fluorophenyl)-3-phenyloxirane?
The IUPAC name of 2-(4-fluorophenyl)-3-phenyloxirane (CID 603783) is 2-(4-fluorophenyl)-3-phenyloxirane.
What is the SMILES notation for 2-(4-fluorophenyl)-3-phenyloxirane?
The canonical SMILES for 2-(4-fluorophenyl)-3-phenyloxirane is Fc1ccc(C2OC2c2ccccc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-phenyloxirane?
The InChIKey is PABVKAQQWPSOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO/c15-12-8-6-11(7-9-12)14-13(16-14)10-4-2-1-3-5-10/h1-9,13-14H.
What are the key properties of 2-(4-fluorophenyl)-3-phenyloxirane?
2-(4-fluorophenyl)-3-phenyloxirane has a molecular weight of 214.24 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-phenyloxirane is sourced from PubChem (CID 603783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).