1,1,2,2,2-pentafluoroethyl 2,2,2-trifluoroethyl sulfite

C4H2F8O3S — CID 87154443

IUPAC1,1,2,2,2-pentafluoroethyl 2,2,2-trifluoroethyl sulfite
SMILESO=S(OCC(F)(F)F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C4H2F8O3S/c5-2(6,7)1-14-16(13)15-4(11,12)3(8,9)10/h1H2
InChIKeyDKSSDRCBAVYYKF-UHFFFAOYSA-N
MW282.11 g/mol
LogP2.32
Rot. Bonds4

About 1,1,2,2,2-pentafluoroethyl 2,2,2-trifluoroethyl sulfite

1,1,2,2,2-pentafluoroethyl 2,2,2-trifluoroethyl sulfite (PubChem CID 87154443) has the molecular formula C4H2F8O3S and a molecular weight of 282.11 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoroethyl 2,2,2-trifluoroethyl sulfite.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoroethyl 2,2,2-trifluoroethyl sulfite
PubChem CID87154443
Molecular FormulaC4H2F8O3S
Molecular Weight282.11 g/mol
Exact Mass281.96
IUPAC Name1,1,2,2,2-pentafluoroethyl 2,2,2-trifluoroethyl sulfite
SMILESO=S(OCC(F)(F)F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C4H2F8O3S/c5-2(6,7)1-14-16(13)15-4(11,12)3(8,9)10/h1H2
InChIKeyDKSSDRCBAVYYKF-UHFFFAOYSA-N
XLogP2.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.11
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bis(2,2,2-trifluoroethyl) sulfite
CID 318171
Bis(2,2,3,3-tetrafluoropropyl) sulfite
CID 13709358
2,2,2-Trifluoroethyl fluorosulfinate
CID 12583890
Chlorosulfurous acid, 2,2,3,3-tetrafluoropropyl ester
CID 11481313
2,2,2-Trifluoroethyl sulfurofluoridate
CID 12397780
2,2,2-Trifluoroethyl trifluoromethyl sulfate
CID 21270370
Bis(1,1,1,3,3,3-hexafluoropropan-2-yl) sulfite
CID 13382257
1,1,1,2-Tetrafluoro-2-fluorosulfonyloxyethane
CID 174345300
1,1,1-Trifluoro-2-(2,2,2-trifluoroethoxysulfanyloxy)ethane
CID 318172
Bis(2,2,2-trifluoroethyl) sulfate
CID 13360356
2,2,2-Trifluoroethyl sulfite
CID 14381801
2,2,3,3,3-Pentafluoropropyl sulfite
CID 17910095

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoroethyl 2,2,2-trifluoroethyl sulfite?
The IUPAC name of 1,1,2,2,2-pentafluoroethyl 2,2,2-trifluoroethyl sulfite (CID 87154443) is 1,1,2,2,2-pentafluoroethyl 2,2,2-trifluoroethyl sulfite.
What is the SMILES notation for 1,1,2,2,2-pentafluoroethyl 2,2,2-trifluoroethyl sulfite?
The canonical SMILES for 1,1,2,2,2-pentafluoroethyl 2,2,2-trifluoroethyl sulfite is O=S(OCC(F)(F)F)OC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoroethyl 2,2,2-trifluoroethyl sulfite?
The InChIKey is DKSSDRCBAVYYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F8O3S/c5-2(6,7)1-14-16(13)15-4(11,12)3(8,9)10/h1H2.
What are the key properties of 1,1,2,2,2-pentafluoroethyl 2,2,2-trifluoroethyl sulfite?
1,1,2,2,2-pentafluoroethyl 2,2,2-trifluoroethyl sulfite has a molecular weight of 282.11 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoroethyl 2,2,2-trifluoroethyl sulfite is sourced from PubChem (CID 87154443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).