2,2,3,3-tetrafluoro-3-oxidoperoxysulfanylpropanoyl fluoride

C3F5O4S- — CID 58852794

IUPAC2,2,3,3-tetrafluoro-3-oxidoperoxysulfanylpropanoyl fluoride
SMILESO=C(F)C(F)(F)C(F)(F)SOO[O-]
InChIInChI=1S/C3HF5O4S/c4-1(9)2(5,6)3(7,8)13-12-11-10/h10H/p-1
InChIKeyHYHZOJVUDUZVEO-UHFFFAOYSA-M
MW227.09 g/mol
LogP0.58
Rot. Bonds5

About 2,2,3,3-tetrafluoro-3-oxidoperoxysulfanylpropanoyl fluoride

2,2,3,3-tetrafluoro-3-oxidoperoxysulfanylpropanoyl fluoride (PubChem CID 58852794) has the molecular formula C3F5O4S- and a molecular weight of 227.09 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-3-oxidoperoxysulfanylpropanoyl fluoride.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-3-oxidoperoxysulfanylpropanoyl fluoride
PubChem CID58852794
Molecular FormulaC3F5O4S-
Molecular Weight227.09 g/mol
Exact Mass226.94
IUPAC Name2,2,3,3-tetrafluoro-3-oxidoperoxysulfanylpropanoyl fluoride
SMILESO=C(F)C(F)(F)C(F)(F)SOO[O-]
InChIInChI=1S/C3HF5O4S/c4-1(9)2(5,6)3(7,8)13-12-11-10/h10H/p-1
InChIKeyHYHZOJVUDUZVEO-UHFFFAOYSA-M
XLogP0.58
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.09
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2,3,3,4,4-octafluoro-4-oxidoperoxysulfanylbutane-1-sulfonic acid
CID 58795331
potassium trifluoro(oxidoperoxysulfanyl)methane
CID 59762881
2,3,3,4,4,5,5,6,6,6-decafluoro-2-oxidoperoxysulfanylhexanoic acid
CID 140525103
sodium 2-cyanoethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 58870511
sodium 8-hydroxyoctyl 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 58870513
methyl 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)ethanesulfonate
CID 20758401
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23-tetratetracontafluorotetracosanedioyl difluoride
CID 163363228
(2-ethoxy-2-oxoethyl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate
CID 59602062
(4-methyloxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 59349960
3-[bis(1,1,2,2,2-pentafluoroethyl)amino]-2,2,3,3-tetrafluoropropanoyl fluoride
CID 14361493
sodium [4-(hydroxymethyl)cyclohexyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 58870543
3-bromo-2,2,3,4,4,4-hexafluorobutanoyl fluoride
CID 12060805

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-3-oxidoperoxysulfanylpropanoyl fluoride?
The IUPAC name of 2,2,3,3-tetrafluoro-3-oxidoperoxysulfanylpropanoyl fluoride (CID 58852794) is 2,2,3,3-tetrafluoro-3-oxidoperoxysulfanylpropanoyl fluoride.
What is the SMILES notation for 2,2,3,3-tetrafluoro-3-oxidoperoxysulfanylpropanoyl fluoride?
The canonical SMILES for 2,2,3,3-tetrafluoro-3-oxidoperoxysulfanylpropanoyl fluoride is O=C(F)C(F)(F)C(F)(F)SOO[O-].
What is the InChIKey of 2,2,3,3-tetrafluoro-3-oxidoperoxysulfanylpropanoyl fluoride?
The InChIKey is HYHZOJVUDUZVEO-UHFFFAOYSA-M. The full InChI is InChI=1S/C3HF5O4S/c4-1(9)2(5,6)3(7,8)13-12-11-10/h10H/p-1.
What are the key properties of 2,2,3,3-tetrafluoro-3-oxidoperoxysulfanylpropanoyl fluoride?
2,2,3,3-tetrafluoro-3-oxidoperoxysulfanylpropanoyl fluoride has a molecular weight of 227.09 g/mol, XLogP of 0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-3-oxidoperoxysulfanylpropanoyl fluoride is sourced from PubChem (CID 58852794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).