2-(4-fluorophenyl)oxirane

C8H7FO — CID 4065230

IUPAC2-(4-fluorophenyl)oxirane
SMILESFc1ccc(C2CO2)cc1
InChIInChI=1S/C8H7FO/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4,8H,5H2
InChIKeyICVNPQMUUHPPOK-UHFFFAOYSA-N
MW138.14 g/mol
LogP1.90
Rot. Bonds1

About 2-(4-fluorophenyl)oxirane

2-(4-fluorophenyl)oxirane (PubChem CID 4065230) has the molecular formula C8H7FO and a molecular weight of 138.14 g/mol. Its IUPAC name is 2-(4-fluorophenyl)oxirane.

Molecular Properties

Compound Name2-(4-fluorophenyl)oxirane
PubChem CID4065230
Molecular FormulaC8H7FO
Molecular Weight138.14 g/mol
Exact Mass138.05
IUPAC Name2-(4-fluorophenyl)oxirane
SMILESFc1ccc(C2CO2)cc1
InChIInChI=1S/C8H7FO/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4,8H,5H2
InChIKeyICVNPQMUUHPPOK-UHFFFAOYSA-N
XLogP1.90
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.14
LogP ≤ 51.90
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)oxirane?
The IUPAC name of 2-(4-fluorophenyl)oxirane (CID 4065230) is 2-(4-fluorophenyl)oxirane.
What is the SMILES notation for 2-(4-fluorophenyl)oxirane?
The canonical SMILES for 2-(4-fluorophenyl)oxirane is Fc1ccc(C2CO2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)oxirane?
The InChIKey is ICVNPQMUUHPPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4,8H,5H2.
What are the key properties of 2-(4-fluorophenyl)oxirane?
2-(4-fluorophenyl)oxirane has a molecular weight of 138.14 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)oxirane is sourced from PubChem (CID 4065230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).