2-[2-(4-fluorophenyl)-2-methoxypropyl]oxirane

C12H15FO2 — CID 19883435

IUPAC2-[2-(4-fluorophenyl)-2-methoxypropyl]oxirane
SMILESCOC(C)(CC1CO1)c1ccc(F)cc1
InChIInChI=1S/C12H15FO2/c1-12(14-2,7-11-8-15-11)9-3-5-10(13)6-4-9/h3-6,11H,7-8H2,1-2H3
InChIKeyFSCKOKRFZVUCNC-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.48
Rot. Bonds4

About 2-[2-(4-fluorophenyl)-2-methoxypropyl]oxirane

2-[2-(4-fluorophenyl)-2-methoxypropyl]oxirane (PubChem CID 19883435) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-2-methoxypropyl]oxirane.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-2-methoxypropyl]oxirane
PubChem CID19883435
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name2-[2-(4-fluorophenyl)-2-methoxypropyl]oxirane
SMILESCOC(C)(CC1CO1)c1ccc(F)cc1
InChIInChI=1S/C12H15FO2/c1-12(14-2,7-11-8-15-11)9-3-5-10(13)6-4-9/h3-6,11H,7-8H2,1-2H3
InChIKeyFSCKOKRFZVUCNC-UHFFFAOYSA-N
XLogP2.48
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[2-(4-fluorophenyl)-2-methoxypropyl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-2-methoxypropyl]oxirane?
The IUPAC name of 2-[2-(4-fluorophenyl)-2-methoxypropyl]oxirane (CID 19883435) is 2-[2-(4-fluorophenyl)-2-methoxypropyl]oxirane.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-2-methoxypropyl]oxirane?
The canonical SMILES for 2-[2-(4-fluorophenyl)-2-methoxypropyl]oxirane is COC(C)(CC1CO1)c1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-2-methoxypropyl]oxirane?
The InChIKey is FSCKOKRFZVUCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-12(14-2,7-11-8-15-11)9-3-5-10(13)6-4-9/h3-6,11H,7-8H2,1-2H3.
What are the key properties of 2-[2-(4-fluorophenyl)-2-methoxypropyl]oxirane?
2-[2-(4-fluorophenyl)-2-methoxypropyl]oxirane has a molecular weight of 210.25 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-2-methoxypropyl]oxirane is sourced from PubChem (CID 19883435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).