2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl hydrogen sulfite

C10H10F2O4S — CID 138607907

IUPAC2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl hydrogen sulfite
SMILESO=S(O)OCC[C@@]1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C10H10F2O4S/c11-7-1-2-8(9(12)5-7)10(6-15-10)3-4-16-17(13)14/h1-2,5H,3-4,6H2,(H,13,14)/t10-/m0/s1
InChIKeyUGPNRLIBGBYWSP-JTQLQIEISA-N
MW264.25 g/mol
LogP1.73
Rot. Bonds5

About 2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl hydrogen sulfite

2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl hydrogen sulfite (PubChem CID 138607907) has the molecular formula C10H10F2O4S and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl hydrogen sulfite.

Molecular Properties

Compound Name2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl hydrogen sulfite
PubChem CID138607907
Molecular FormulaC10H10F2O4S
Molecular Weight264.25 g/mol
Exact Mass264.03
IUPAC Name2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl hydrogen sulfite
SMILESO=S(O)OCC[C@@]1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C10H10F2O4S/c11-7-1-2-8(9(12)5-7)10(6-15-10)3-4-16-17(13)14/h1-2,5H,3-4,6H2,(H,13,14)/t10-/m0/s1
InChIKeyUGPNRLIBGBYWSP-JTQLQIEISA-N
XLogP1.73
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', '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-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl hydrogen sulfite?
The IUPAC name of 2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl hydrogen sulfite (CID 138607907) is 2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl hydrogen sulfite.
What is the SMILES notation for 2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl hydrogen sulfite?
The canonical SMILES for 2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl hydrogen sulfite is O=S(O)OCC[C@@]1(c2ccc(F)cc2F)CO1.
What is the InChIKey of 2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl hydrogen sulfite?
The InChIKey is UGPNRLIBGBYWSP-JTQLQIEISA-N. The full InChI is InChI=1S/C10H10F2O4S/c11-7-1-2-8(9(12)5-7)10(6-15-10)3-4-16-17(13)14/h1-2,5H,3-4,6H2,(H,13,14)/t10-/m0/s1.
What are the key properties of 2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl hydrogen sulfite?
2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl hydrogen sulfite has a molecular weight of 264.25 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl hydrogen sulfite is sourced from PubChem (CID 138607907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).