2-[2-(2-ethoxy-5-fluorophenyl)ethyl]oxirane

C12H15FO2 — CID 83944069

IUPAC2-[2-(2-ethoxy-5-fluorophenyl)ethyl]oxirane
SMILESCCOc1ccc(F)cc1CCC1CO1
InChIInChI=1S/C12H15FO2/c1-2-14-12-6-4-10(13)7-9(12)3-5-11-8-15-11/h4,6-7,11H,2-3,5,8H2,1H3
InChIKeyJPIGJOGFPMJLPS-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.56
Rot. Bonds5

About 2-[2-(2-ethoxy-5-fluorophenyl)ethyl]oxirane

2-[2-(2-ethoxy-5-fluorophenyl)ethyl]oxirane (PubChem CID 83944069) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-[2-(2-ethoxy-5-fluorophenyl)ethyl]oxirane.

Molecular Properties

Compound Name2-[2-(2-ethoxy-5-fluorophenyl)ethyl]oxirane
PubChem CID83944069
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name2-[2-(2-ethoxy-5-fluorophenyl)ethyl]oxirane
SMILESCCOc1ccc(F)cc1CCC1CO1
InChIInChI=1S/C12H15FO2/c1-2-14-12-6-4-10(13)7-9(12)3-5-11-8-15-11/h4,6-7,11H,2-3,5,8H2,1H3
InChIKeyJPIGJOGFPMJLPS-UHFFFAOYSA-N
XLogP2.56
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.56
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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Related Compounds

2-but-3-enyl-1-ethoxy-4-fluorobenzene
CID 83944059
2-[2-(2-fluoro-4,5-dimethoxyphenyl)ethyl]oxirane
CID 83922764
2-[(2R,5S)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]ethanamine
CID 44590694
2-(2-ethoxy-5-fluorophenyl)acetaldehyde
CID 83876013
2-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]oxirane
CID 83931662
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
2-[5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]-N-methylethanamine
CID 25258809
2-[2-(4-chloro-2,5-dimethoxyphenyl)ethyl]oxirane
CID 83943215
2-[2-(5-chloro-2,4-dimethoxyphenyl)ethyl]oxirane
CID 83943345
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
2-[2-(4-butyl-2-methoxyphenyl)ethyl]oxirane
CID 89049664
2-[2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2-fluorophenyl]ethyl]-5-methyloxane
CID 70866846

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxy-5-fluorophenyl)ethyl]oxirane?
The IUPAC name of 2-[2-(2-ethoxy-5-fluorophenyl)ethyl]oxirane (CID 83944069) is 2-[2-(2-ethoxy-5-fluorophenyl)ethyl]oxirane.
What is the SMILES notation for 2-[2-(2-ethoxy-5-fluorophenyl)ethyl]oxirane?
The canonical SMILES for 2-[2-(2-ethoxy-5-fluorophenyl)ethyl]oxirane is CCOc1ccc(F)cc1CCC1CO1.
What is the InChIKey of 2-[2-(2-ethoxy-5-fluorophenyl)ethyl]oxirane?
The InChIKey is JPIGJOGFPMJLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-2-14-12-6-4-10(13)7-9(12)3-5-11-8-15-11/h4,6-7,11H,2-3,5,8H2,1H3.
What are the key properties of 2-[2-(2-ethoxy-5-fluorophenyl)ethyl]oxirane?
2-[2-(2-ethoxy-5-fluorophenyl)ethyl]oxirane has a molecular weight of 210.25 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxy-5-fluorophenyl)ethyl]oxirane is sourced from PubChem (CID 83944069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).