2-[(4-fluorophenoxy)methyl]oxirane

C9H9FO2 — CID 2724792

IUPAC2-[(4-fluorophenoxy)methyl]oxirane
SMILESFc1ccc(OCC2CO2)cc1
InChIInChI=1S/C9H9FO2/c10-7-1-3-8(4-2-7)11-5-9-6-12-9/h1-4,9H,5-6H2
InChIKeyCGWDABYOHPEOAD-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.60
Rot. Bonds3

About 2-[(4-fluorophenoxy)methyl]oxirane

2-[(4-fluorophenoxy)methyl]oxirane (PubChem CID 2724792) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]oxirane.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]oxirane
PubChem CID2724792
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name2-[(4-fluorophenoxy)methyl]oxirane
SMILESFc1ccc(OCC2CO2)cc1
InChIInChI=1S/C9H9FO2/c10-7-1-3-8(4-2-7)11-5-9-6-12-9/h1-4,9H,5-6H2
InChIKeyCGWDABYOHPEOAD-UHFFFAOYSA-N
XLogP1.60
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-fluorophenoxy)methyl]oxirane?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]oxirane (CID 2724792) is 2-[(4-fluorophenoxy)methyl]oxirane.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]oxirane?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]oxirane is Fc1ccc(OCC2CO2)cc1.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]oxirane?
The InChIKey is CGWDABYOHPEOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c10-7-1-3-8(4-2-7)11-5-9-6-12-9/h1-4,9H,5-6H2.
What are the key properties of 2-[(4-fluorophenoxy)methyl]oxirane?
2-[(4-fluorophenoxy)methyl]oxirane has a molecular weight of 168.17 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]oxirane is sourced from PubChem (CID 2724792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).