fluoro difluoro(iodo)methanesulfonate

CF3IO3S — CID 175456867

IUPACfluoro difluoro(iodo)methanesulfonate
SMILESO=S(=O)(OF)C(F)(F)I
InChIInChI=1S/CF3IO3S/c2-1(3,5)9(6,7)8-4
InChIKeyLQTDJDSAVAAVRX-UHFFFAOYSA-N
MW275.97 g/mol
LogP1.20
Rot. Bonds2

About fluoro difluoro(iodo)methanesulfonate

fluoro difluoro(iodo)methanesulfonate (PubChem CID 175456867) has the molecular formula CF3IO3S and a molecular weight of 275.97 g/mol. Its IUPAC name is fluoro difluoro(iodo)methanesulfonate.

Molecular Properties

Compound Namefluoro difluoro(iodo)methanesulfonate
PubChem CID175456867
Molecular FormulaCF3IO3S
Molecular Weight275.97 g/mol
Exact Mass275.86
IUPAC Namefluoro difluoro(iodo)methanesulfonate
SMILESO=S(=O)(OF)C(F)(F)I
InChIInChI=1S/CF3IO3S/c2-1(3,5)9(6,7)8-4
InChIKeyLQTDJDSAVAAVRX-UHFFFAOYSA-N
XLogP1.20
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.97
LogP ≤ 51.20
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

lithium;fluoro 1,1,2,2,2-pentafluoroethanesulfonate;hydride
CID 173320914
difluoro(iodo)methanesulfonyl iodide
CID 143365463
1,1,2,2,3,3-hexafluoro-3-fluorooxysulfonylpropane-1-sulfonic acid
CID 91127376
fluoro difluoro(phenyl)methanesulfonate
CID 87462913
lithium fluorosulfonyl hypofluorite
CID 22638452
trifluoromethyl bromo-chloro-iodomethanesulfonate
CID 158307572
fluoro 1,1,2,2,6,6,6-heptafluorohexane-1-sulfonate;N-methylmethanamine
CID 174871702
trifluoro-[iodo-bis(trifluoromethylsulfonyl)methyl]sulfonylmethane
CID 141352262
lithium;fluoro 1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonate;hydride
CID 173339181
1,1,2,2-tetrafluoro-2-iodoethanesulfonyl fluoride
CID 19898065
bis(1,1,2,2,2-pentafluoroethylsulfonyloxy)borinic acid
CID 175605694
sodium;fluorosulfonyl hypofluorite;hydride
CID 175032584

Frequently Asked Questions

What is the IUPAC name of fluoro difluoro(iodo)methanesulfonate?
The IUPAC name of fluoro difluoro(iodo)methanesulfonate (CID 175456867) is fluoro difluoro(iodo)methanesulfonate.
What is the SMILES notation for fluoro difluoro(iodo)methanesulfonate?
The canonical SMILES for fluoro difluoro(iodo)methanesulfonate is O=S(=O)(OF)C(F)(F)I.
What is the InChIKey of fluoro difluoro(iodo)methanesulfonate?
The InChIKey is LQTDJDSAVAAVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/CF3IO3S/c2-1(3,5)9(6,7)8-4.
What are the key properties of fluoro difluoro(iodo)methanesulfonate?
fluoro difluoro(iodo)methanesulfonate has a molecular weight of 275.97 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro difluoro(iodo)methanesulfonate is sourced from PubChem (CID 175456867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).