1,1-difluoro-1-fluorosulfonyloxy-2-iodoethane

C2H2F3IO3S — CID 12731189

IUPAC1,1-difluoro-1-fluorosulfonyloxy-2-iodoethane
SMILESO=S(=O)(F)OC(F)(F)CI
InChIInChI=1S/C2H2F3IO3S/c3-2(4,1-6)9-10(5,7)8/h1H2
InChIKeyFYFNHCPSEYXBLZ-UHFFFAOYSA-N
MW290.00 g/mol
LogP1.25
Rot. Bonds3

About 1,1-difluoro-1-fluorosulfonyloxy-2-iodoethane

1,1-difluoro-1-fluorosulfonyloxy-2-iodoethane (PubChem CID 12731189) has the molecular formula C2H2F3IO3S and a molecular weight of 290.00 g/mol. Its IUPAC name is 1,1-difluoro-1-fluorosulfonyloxy-2-iodoethane.

Molecular Properties

Compound Name1,1-difluoro-1-fluorosulfonyloxy-2-iodoethane
PubChem CID12731189
Molecular FormulaC2H2F3IO3S
Molecular Weight290.00 g/mol
Exact Mass289.87
IUPAC Name1,1-difluoro-1-fluorosulfonyloxy-2-iodoethane
SMILESO=S(=O)(F)OC(F)(F)CI
InChIInChI=1S/C2H2F3IO3S/c3-2(4,1-6)9-10(5,7)8/h1H2
InChIKeyFYFNHCPSEYXBLZ-UHFFFAOYSA-N
XLogP1.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.00
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2-Tetrafluoro-2-iodoethyl sulfurofluoridate
CID 12596365
Iodotrifluoroethyl fluorosulfate
CID 129811197
1,1,1,3,3-Pentafluoro-3-fluorosulfonyloxy-2-iodopropane
CID 12730208
1,1,2-Trifluoro-1-fluorosulfonyloxy-2-iodoethane
CID 12730211
1,1,2-Trifluoro-2-fluorosulfonyloxy-1-iodoethane
CID 12730214

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-fluorosulfonyloxy-2-iodoethane?
The IUPAC name of 1,1-difluoro-1-fluorosulfonyloxy-2-iodoethane (CID 12731189) is 1,1-difluoro-1-fluorosulfonyloxy-2-iodoethane.
What is the SMILES notation for 1,1-difluoro-1-fluorosulfonyloxy-2-iodoethane?
The canonical SMILES for 1,1-difluoro-1-fluorosulfonyloxy-2-iodoethane is O=S(=O)(F)OC(F)(F)CI.
What is the InChIKey of 1,1-difluoro-1-fluorosulfonyloxy-2-iodoethane?
The InChIKey is FYFNHCPSEYXBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F3IO3S/c3-2(4,1-6)9-10(5,7)8/h1H2.
What are the key properties of 1,1-difluoro-1-fluorosulfonyloxy-2-iodoethane?
1,1-difluoro-1-fluorosulfonyloxy-2-iodoethane has a molecular weight of 290.00 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-fluorosulfonyloxy-2-iodoethane is sourced from PubChem (CID 12731189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).