1,1,2-trifluoro-2-fluorosulfonyloxy-1-iodoethane

C2HF4IO3S — CID 12730214

IUPAC1,1,2-trifluoro-2-fluorosulfonyloxy-1-iodoethane
SMILESO=S(=O)(F)OC(F)C(F)(F)I
InChIInChI=1S/C2HF4IO3S/c3-1(2(4,5)7)10-11(6,8)9/h1H
InChIKeyUNQQGAKLAADJQB-UHFFFAOYSA-N
MW307.99 g/mol
LogP1.54
Rot. Bonds3

About 1,1,2-trifluoro-2-fluorosulfonyloxy-1-iodoethane

1,1,2-trifluoro-2-fluorosulfonyloxy-1-iodoethane (PubChem CID 12730214) has the molecular formula C2HF4IO3S and a molecular weight of 307.99 g/mol. Its IUPAC name is 1,1,2-trifluoro-2-fluorosulfonyloxy-1-iodoethane.

Molecular Properties

Compound Name1,1,2-trifluoro-2-fluorosulfonyloxy-1-iodoethane
PubChem CID12730214
Molecular FormulaC2HF4IO3S
Molecular Weight307.99 g/mol
Exact Mass307.86
IUPAC Name1,1,2-trifluoro-2-fluorosulfonyloxy-1-iodoethane
SMILESO=S(=O)(F)OC(F)C(F)(F)I
InChIInChI=1S/C2HF4IO3S/c3-1(2(4,5)7)10-11(6,8)9/h1H
InChIKeyUNQQGAKLAADJQB-UHFFFAOYSA-N
XLogP1.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.99
LogP ≤ 51.54
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

2,2,2-Trifluoroethyl sulfurofluoridate
CID 12397780
1,1,1,2-Tetrafluoro-2-fluorosulfonyloxyethane
CID 174345300
Iodotrifluoroethyl fluorosulfate
CID 129811197
2-Iodo-3,3,3-trifluoropropyl fluosulfate
CID 129812197
1,1,1-Trifluoro-3-fluorosulfonyloxy-2-iodopropane
CID 12730207
1,1,1,3,3-Pentafluoro-3-fluorosulfonyloxy-2-iodopropane
CID 12730208
1,1,2-Trifluoro-1-fluorosulfonyloxy-2-iodoethane
CID 12730211
1,1-Difluoro-1-fluorosulfonyloxy-2-iodoethane
CID 12731189
Sulfuryl difluoride;1,1,2,2-tetrafluoro-1-iodo-2-(1,2,2,2-tetrafluoroethoxy)ethane
CID 87766488
1,1,2-Trifluoro-2-fluorosulfonyloxyethane
CID 175149587

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-2-fluorosulfonyloxy-1-iodoethane?
The IUPAC name of 1,1,2-trifluoro-2-fluorosulfonyloxy-1-iodoethane (CID 12730214) is 1,1,2-trifluoro-2-fluorosulfonyloxy-1-iodoethane.
What is the SMILES notation for 1,1,2-trifluoro-2-fluorosulfonyloxy-1-iodoethane?
The canonical SMILES for 1,1,2-trifluoro-2-fluorosulfonyloxy-1-iodoethane is O=S(=O)(F)OC(F)C(F)(F)I.
What is the InChIKey of 1,1,2-trifluoro-2-fluorosulfonyloxy-1-iodoethane?
The InChIKey is UNQQGAKLAADJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF4IO3S/c3-1(2(4,5)7)10-11(6,8)9/h1H.
What are the key properties of 1,1,2-trifluoro-2-fluorosulfonyloxy-1-iodoethane?
1,1,2-trifluoro-2-fluorosulfonyloxy-1-iodoethane has a molecular weight of 307.99 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-2-fluorosulfonyloxy-1-iodoethane is sourced from PubChem (CID 12730214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).