2-(2,3-difluorophenyl)-2-ethenyloxirane

C10H8F2O — CID 59303498

IUPAC2-(2,3-difluorophenyl)-2-ethenyloxirane
SMILESC=CC1(c2cccc(F)c2F)CO1
InChIInChI=1S/C10H8F2O/c1-2-10(6-13-10)7-4-3-5-8(11)9(7)12/h2-5H,1,6H2
InChIKeyYRYLZMBIUVFKRD-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.38
Rot. Bonds2

About 2-(2,3-difluorophenyl)-2-ethenyloxirane

2-(2,3-difluorophenyl)-2-ethenyloxirane (PubChem CID 59303498) has the molecular formula C10H8F2O and a molecular weight of 182.17 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-2-ethenyloxirane.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-2-ethenyloxirane
PubChem CID59303498
Molecular FormulaC10H8F2O
Molecular Weight182.17 g/mol
Exact Mass182.05
IUPAC Name2-(2,3-difluorophenyl)-2-ethenyloxirane
SMILESC=CC1(c2cccc(F)c2F)CO1
InChIInChI=1S/C10H8F2O/c1-2-10(6-13-10)7-4-3-5-8(11)9(7)12/h2-5H,1,6H2
InChIKeyYRYLZMBIUVFKRD-UHFFFAOYSA-N
XLogP2.38
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-2-ethenyloxirane?
The IUPAC name of 2-(2,3-difluorophenyl)-2-ethenyloxirane (CID 59303498) is 2-(2,3-difluorophenyl)-2-ethenyloxirane.
What is the SMILES notation for 2-(2,3-difluorophenyl)-2-ethenyloxirane?
The canonical SMILES for 2-(2,3-difluorophenyl)-2-ethenyloxirane is C=CC1(c2cccc(F)c2F)CO1.
What is the InChIKey of 2-(2,3-difluorophenyl)-2-ethenyloxirane?
The InChIKey is YRYLZMBIUVFKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O/c1-2-10(6-13-10)7-4-3-5-8(11)9(7)12/h2-5H,1,6H2.
What are the key properties of 2-(2,3-difluorophenyl)-2-ethenyloxirane?
2-(2,3-difluorophenyl)-2-ethenyloxirane has a molecular weight of 182.17 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-2-ethenyloxirane is sourced from PubChem (CID 59303498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).