1,2,2-trifluoroethanesulfonyl iodide

C2H2F3IO2S — CID 175056964

IUPAC1,2,2-trifluoroethanesulfonyl iodide
SMILESO=S(=O)(I)C(F)C(F)F
InChIInChI=1S/C2H2F3IO2S/c3-1(4)2(5)9(6,7)8/h1-2H
InChIKeyWEWZJIWGZMGCCQ-UHFFFAOYSA-N
MW274.00 g/mol
LogP1.31
Rot. Bonds2

About 1,2,2-trifluoroethanesulfonyl iodide

1,2,2-trifluoroethanesulfonyl iodide (PubChem CID 175056964) has the molecular formula C2H2F3IO2S and a molecular weight of 274.00 g/mol. Its IUPAC name is 1,2,2-trifluoroethanesulfonyl iodide.

Molecular Properties

Compound Name1,2,2-trifluoroethanesulfonyl iodide
PubChem CID175056964
Molecular FormulaC2H2F3IO2S
Molecular Weight274.00 g/mol
Exact Mass273.88
IUPAC Name1,2,2-trifluoroethanesulfonyl iodide
SMILESO=S(=O)(I)C(F)C(F)F
InChIInChI=1S/C2H2F3IO2S/c3-1(4)2(5)9(6,7)8/h1-2H
InChIKeyWEWZJIWGZMGCCQ-UHFFFAOYSA-N
XLogP1.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.00
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethanesulfonyl fluoride, 1,2,2,2-tetrafluoro-
CID 160613
2,2,2-Trifluoroethanesulfonyl chloride
CID 74242
2,2,2-Trifluoroethanesulfonyl fluoride
CID 12929868
Ethanesulfonic acid, 2,2,2-trifluoro-
CID 3014047
2,2-Difluoroethanesulfonyl chloride
CID 50989405
2,2,2-Trifluoroethanesulfinate
CID 21714686
Sodium 1h-tetrafluoroethanesulfonate
CID 129806125
Potassium;2,2,2-trifluoroethanesulfonate
CID 160880552
1,1-Dideuterio-2,2,2-trifluoroethanesulfonyl chloride
CID 10750003
1,2,2,2-Tetrafluoroethanesulfonyl chloride
CID 13111792
Trifluoromethyl 2,2,2-trifluoroethane-1-sulfonate
CID 21270385
2,2,2-Trifluoroethyl-methanesulfonate
CID 21470016

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trifluoroethanesulfonyl iodide?
The IUPAC name of 1,2,2-trifluoroethanesulfonyl iodide (CID 175056964) is 1,2,2-trifluoroethanesulfonyl iodide.
What is the SMILES notation for 1,2,2-trifluoroethanesulfonyl iodide?
The canonical SMILES for 1,2,2-trifluoroethanesulfonyl iodide is O=S(=O)(I)C(F)C(F)F.
What is the InChIKey of 1,2,2-trifluoroethanesulfonyl iodide?
The InChIKey is WEWZJIWGZMGCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F3IO2S/c3-1(4)2(5)9(6,7)8/h1-2H.
What are the key properties of 1,2,2-trifluoroethanesulfonyl iodide?
1,2,2-trifluoroethanesulfonyl iodide has a molecular weight of 274.00 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluoroethanesulfonyl iodide is sourced from PubChem (CID 175056964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).