2,2,3,3,4,4,4-heptafluorobutyl sulfite

C4H2F7O3S- — CID 174847964

IUPAC2,2,3,3,4,4,4-heptafluorobutyl sulfite
SMILESO=S([O-])OCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H3F7O3S/c5-2(6,1-14-15(12)13)3(7,8)4(9,10)11/h1H2,(H,12,13)/p-1
InChIKeyCIJIPLZEBMCCRW-UHFFFAOYSA-M
MW263.11 g/mol
LogP1.63
Rot. Bonds4

About 2,2,3,3,4,4,4-heptafluorobutyl sulfite

2,2,3,3,4,4,4-heptafluorobutyl sulfite (PubChem CID 174847964) has the molecular formula C4H2F7O3S- and a molecular weight of 263.11 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluorobutyl sulfite.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluorobutyl sulfite
PubChem CID174847964
Molecular FormulaC4H2F7O3S-
Molecular Weight263.11 g/mol
Exact Mass262.96
IUPAC Name2,2,3,3,4,4,4-heptafluorobutyl sulfite
SMILESO=S([O-])OCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H3F7O3S/c5-2(6,1-14-15(12)13)3(7,8)4(9,10)11/h1H2,(H,12,13)/p-1
InChIKeyCIJIPLZEBMCCRW-UHFFFAOYSA-M
XLogP1.63
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.11
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', '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
Chlorosulfurous acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester
CID 11232283
Chlorosulfurous acid, 2,2,3,3-tetrafluoropropyl ester
CID 11481313
Bis(1,1,1,3,3,3-hexafluoropropan-2-yl) sulfite
CID 13382257
1,1,2,2,3,3,4,4-Octafluoro-5-fluorosulfinyloxypentane
CID 12653221
2,2,3,3,3-Pentafluoropropyl sulfite
CID 17910095
1,2,2,2-Tetrafluoroethyl sulfite
CID 57302582
1,1,1,2,2,3,3-Heptafluoro-4-oxidooxybutane
CID 58781689
1,1,2,2,2-Pentafluoroethyl 2,2,2-trifluoroethyl sulfite
CID 87154443
Difluoromethyl 2,2,2-trifluoroethyl sulfite
CID 87154524
2,2,3,3,3-Pentafluoropropyl 2,2,2-trifluoroethyl sulfite
CID 87154541

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluorobutyl sulfite?
The IUPAC name of 2,2,3,3,4,4,4-heptafluorobutyl sulfite (CID 174847964) is 2,2,3,3,4,4,4-heptafluorobutyl sulfite.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluorobutyl sulfite?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluorobutyl sulfite is O=S([O-])OCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluorobutyl sulfite?
The InChIKey is CIJIPLZEBMCCRW-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H3F7O3S/c5-2(6,1-14-15(12)13)3(7,8)4(9,10)11/h1H2,(H,12,13)/p-1.
What are the key properties of 2,2,3,3,4,4,4-heptafluorobutyl sulfite?
2,2,3,3,4,4,4-heptafluorobutyl sulfite has a molecular weight of 263.11 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluorobutyl sulfite is sourced from PubChem (CID 174847964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).