2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfite

C5H4F8O3S — CID 87154541

IUPAC2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfite
SMILESO=S(OCC(F)(F)F)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H4F8O3S/c6-3(7,5(11,12)13)1-15-17(14)16-2-4(8,9)10/h1-2H2
InChIKeyIGDWIQZQPGXVJL-UHFFFAOYSA-N
MW296.14 g/mol
LogP2.36
Rot. Bonds5

About 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfite

2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfite (PubChem CID 87154541) has the molecular formula C5H4F8O3S and a molecular weight of 296.14 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfite.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfite
PubChem CID87154541
Molecular FormulaC5H4F8O3S
Molecular Weight296.14 g/mol
Exact Mass295.98
IUPAC Name2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfite
SMILESO=S(OCC(F)(F)F)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H4F8O3S/c6-3(7,5(11,12)13)1-15-17(14)16-2-4(8,9)10/h1-2H2
InChIKeyIGDWIQZQPGXVJL-UHFFFAOYSA-N
XLogP2.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfite?
The IUPAC name of 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfite (CID 87154541) is 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfite.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfite?
The canonical SMILES for 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfite is O=S(OCC(F)(F)F)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfite?
The InChIKey is IGDWIQZQPGXVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F8O3S/c6-3(7,5(11,12)13)1-15-17(14)16-2-4(8,9)10/h1-2H2.
What are the key properties of 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfite?
2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfite has a molecular weight of 296.14 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroethyl sulfite is sourced from PubChem (CID 87154541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).