2,2,2-trifluoroethanesulfonyl iodide

C2H2F3IO2S — CID 147408811

IUPAC2,2,2-trifluoroethanesulfonyl iodide
SMILESO=S(=O)(I)CC(F)(F)F
InChIInChI=1S/C2H2F3IO2S/c3-2(4,5)1-9(6,7)8/h1H2
InChIKeyDQEXYGMDOOPOMH-UHFFFAOYSA-N
MW274.00 g/mol
LogP1.31
Rot. Bonds1

About 2,2,2-trifluoroethanesulfonyl iodide

2,2,2-trifluoroethanesulfonyl iodide (PubChem CID 147408811) has the molecular formula C2H2F3IO2S and a molecular weight of 274.00 g/mol. Its IUPAC name is 2,2,2-trifluoroethanesulfonyl iodide.

Molecular Properties

Compound Name2,2,2-trifluoroethanesulfonyl iodide
PubChem CID147408811
Molecular FormulaC2H2F3IO2S
Molecular Weight274.00 g/mol
Exact Mass273.88
IUPAC Name2,2,2-trifluoroethanesulfonyl iodide
SMILESO=S(=O)(I)CC(F)(F)F
InChIInChI=1S/C2H2F3IO2S/c3-2(4,5)1-9(6,7)8/h1H2
InChIKeyDQEXYGMDOOPOMH-UHFFFAOYSA-N
XLogP1.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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

2,2,2-trifluoroethanesulfonyl fluoride
CID 12929868
2,3-bis(2,2,2-trifluoroethylsulfonyl)butane
CID 158437454
2,2,2-trifluoroethanesulfonic acid;hydrochloride
CID 88652100
1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)-2-(trifluoromethyl)propane
CID 87154616
ethane-1,2-diol;bis(2,2,2-trifluoroethanesulfonic acid)
CID 87292403
2,2,2-trifluoro-N-hydroxy-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide
CID 162606518
methanidyl(2,2,2-trifluoroethylsulfonyl)azanium
CID 59280662
methyl(2,2,2-trifluoroethylsulfonyl)azanide
CID 59280663
silyl 2,2,2-trifluoroethanesulfonate
CID 150644822
difluoro(iodo)methanesulfonyl iodide
CID 143365463
2-(2,2,2-trifluoroethylsulfonyl)ethanamine
CID 58685127
ethanesulfonyl chloride;2,2,2-trifluoroethanesulfonic acid
CID 162214808

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethanesulfonyl iodide?
The IUPAC name of 2,2,2-trifluoroethanesulfonyl iodide (CID 147408811) is 2,2,2-trifluoroethanesulfonyl iodide.
What is the SMILES notation for 2,2,2-trifluoroethanesulfonyl iodide?
The canonical SMILES for 2,2,2-trifluoroethanesulfonyl iodide is O=S(=O)(I)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethanesulfonyl iodide?
The InChIKey is DQEXYGMDOOPOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F3IO2S/c3-2(4,5)1-9(6,7)8/h1H2.
What are the key properties of 2,2,2-trifluoroethanesulfonyl iodide?
2,2,2-trifluoroethanesulfonyl iodide has a molecular weight of 274.00 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethanesulfonyl iodide is sourced from PubChem (CID 147408811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).