2-ethyl-2-(4-fluorophenyl)oxirane

C10H11FO — CID 59455262

IUPAC2-ethyl-2-(4-fluorophenyl)oxirane
SMILESCCC1(c2ccc(F)cc2)CO1
InChIInChI=1S/C10H11FO/c1-2-10(7-12-10)8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3
InChIKeyLFKGEMUJJMSEQY-UHFFFAOYSA-N
MW166.19 g/mol
LogP2.46
Rot. Bonds2

About 2-ethyl-2-(4-fluorophenyl)oxirane

2-ethyl-2-(4-fluorophenyl)oxirane (PubChem CID 59455262) has the molecular formula C10H11FO and a molecular weight of 166.19 g/mol. Its IUPAC name is 2-ethyl-2-(4-fluorophenyl)oxirane.

Molecular Properties

Compound Name2-ethyl-2-(4-fluorophenyl)oxirane
PubChem CID59455262
Molecular FormulaC10H11FO
Molecular Weight166.19 g/mol
Exact Mass166.08
IUPAC Name2-ethyl-2-(4-fluorophenyl)oxirane
SMILESCCC1(c2ccc(F)cc2)CO1
InChIInChI=1S/C10H11FO/c1-2-10(7-12-10)8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3
InChIKeyLFKGEMUJJMSEQY-UHFFFAOYSA-N
XLogP2.46
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 52.46
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-ethyl-2-(4-fluorophenyl)oxirane?
The IUPAC name of 2-ethyl-2-(4-fluorophenyl)oxirane (CID 59455262) is 2-ethyl-2-(4-fluorophenyl)oxirane.
What is the SMILES notation for 2-ethyl-2-(4-fluorophenyl)oxirane?
The canonical SMILES for 2-ethyl-2-(4-fluorophenyl)oxirane is CCC1(c2ccc(F)cc2)CO1.
What is the InChIKey of 2-ethyl-2-(4-fluorophenyl)oxirane?
The InChIKey is LFKGEMUJJMSEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO/c1-2-10(7-12-10)8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3.
What are the key properties of 2-ethyl-2-(4-fluorophenyl)oxirane?
2-ethyl-2-(4-fluorophenyl)oxirane has a molecular weight of 166.19 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(4-fluorophenyl)oxirane is sourced from PubChem (CID 59455262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).