1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl iodide

C4F9IO2S — CID 89346717

IUPAC1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl iodide
SMILESO=S(=O)(I)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4F9IO2S/c5-1(2(6,7)8,3(9,10)11)4(12,13)17(14,15)16
InChIKeyOZZBIGXDRWORBA-UHFFFAOYSA-N
MW410.00 g/mol
LogP3.18
Rot. Bonds2

About 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl iodide

1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl iodide (PubChem CID 89346717) has the molecular formula C4F9IO2S and a molecular weight of 410.00 g/mol. Its IUPAC name is 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl iodide.

Molecular Properties

Compound Name1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl iodide
PubChem CID89346717
Molecular FormulaC4F9IO2S
Molecular Weight410.00 g/mol
Exact Mass409.85
IUPAC Name1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl iodide
SMILESO=S(=O)(I)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4F9IO2S/c5-1(2(6,7)8,3(9,10)11)4(12,13)17(14,15)16
InChIKeyOZZBIGXDRWORBA-UHFFFAOYSA-N
XLogP3.18
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.00
LogP ≤ 53.18
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

1,1,2,2,3,3,3-heptafluoropropane-1-sulfonyl iodide
CID 87237688
1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride
CID 89346686
difluoro(iodo)methanesulfonyl iodide
CID 143365463
1,1,2,3,3,3-hexafluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propane-1-sulfonamide
CID 3022204
dilithium bis(1,1,2,2,2-pentafluoroethanesulfonate)
CID 153294032
1,1,2,2,2-pentafluoroethanesulfonate
CID 22062497
lithium;hydride;1,1,2,2,2-pentafluoroethanesulfonic acid
CID 173036129
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;stibane
CID 173196652
1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonyl)propane
CID 22105014
1,1,2,2-tetrafluoro-2-iodoethanesulfonyl fluoride
CID 19898065
2,2,2-trifluoroethanesulfonyl iodide
CID 147408811
potassium 1,1,2,2,2-pentafluoroethanesulfonate
CID 23666373

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl iodide?
The IUPAC name of 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl iodide (CID 89346717) is 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl iodide.
What is the SMILES notation for 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl iodide?
The canonical SMILES for 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl iodide is O=S(=O)(I)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl iodide?
The InChIKey is OZZBIGXDRWORBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F9IO2S/c5-1(2(6,7)8,3(9,10)11)4(12,13)17(14,15)16.
What are the key properties of 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl iodide?
1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl iodide has a molecular weight of 410.00 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonyl iodide is sourced from PubChem (CID 89346717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).