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

C2HF4IO3S — CID 12730211

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

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

1,1,2-trifluoro-1-fluorosulfonyloxy-2-iodoethane (PubChem CID 12730211) has the molecular formula C2HF4IO3S and a molecular weight of 307.99 g/mol. Its IUPAC name is 1,1,2-trifluoro-1-fluorosulfonyloxy-2-iodoethane.

Molecular Properties

Compound Name1,1,2-trifluoro-1-fluorosulfonyloxy-2-iodoethane
PubChem CID12730211
Molecular FormulaC2HF4IO3S
Molecular Weight307.99 g/mol
Exact Mass307.86
IUPAC Name1,1,2-trifluoro-1-fluorosulfonyloxy-2-iodoethane
SMILESO=S(=O)(F)OC(F)(F)C(F)I
InChIInChI=1S/C2HF4IO3S/c3-1(7)2(4,5)10-11(6,8)9/h1H
InChIKeyKRCPQIPBRJWSRW-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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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-1-fluorosulfonyloxy-2-iodoethane?
The IUPAC name of 1,1,2-trifluoro-1-fluorosulfonyloxy-2-iodoethane (CID 12730211) is 1,1,2-trifluoro-1-fluorosulfonyloxy-2-iodoethane.
What is the SMILES notation for 1,1,2-trifluoro-1-fluorosulfonyloxy-2-iodoethane?
The canonical SMILES for 1,1,2-trifluoro-1-fluorosulfonyloxy-2-iodoethane is O=S(=O)(F)OC(F)(F)C(F)I.
What is the InChIKey of 1,1,2-trifluoro-1-fluorosulfonyloxy-2-iodoethane?
The InChIKey is KRCPQIPBRJWSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF4IO3S/c3-1(7)2(4,5)10-11(6,8)9/h1H.
What are the key properties of 1,1,2-trifluoro-1-fluorosulfonyloxy-2-iodoethane?
1,1,2-trifluoro-1-fluorosulfonyloxy-2-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-1-fluorosulfonyloxy-2-iodoethane is sourced from PubChem (CID 12730211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).