iodo 2,2-difluoro-2-fluorosulfonylacetate

C2F3IO4S — CID 156548893

IUPACiodo 2,2-difluoro-2-fluorosulfonylacetate
SMILESO=C(OI)C(F)(F)S(=O)(=O)F
InChIInChI=1S/C2F3IO4S/c3-2(4,1(7)10-6)11(5,8)9
InChIKeyQDBHSTYSNMEHAC-UHFFFAOYSA-N
MW303.98 g/mol
LogP0.77
Rot. Bonds2

About iodo 2,2-difluoro-2-fluorosulfonylacetate

iodo 2,2-difluoro-2-fluorosulfonylacetate (PubChem CID 156548893) has the molecular formula C2F3IO4S and a molecular weight of 303.98 g/mol. Its IUPAC name is iodo 2,2-difluoro-2-fluorosulfonylacetate.

Molecular Properties

Compound Nameiodo 2,2-difluoro-2-fluorosulfonylacetate
PubChem CID156548893
Molecular FormulaC2F3IO4S
Molecular Weight303.98 g/mol
Exact Mass303.85
IUPAC Nameiodo 2,2-difluoro-2-fluorosulfonylacetate
SMILESO=C(OI)C(F)(F)S(=O)(=O)F
InChIInChI=1S/C2F3IO4S/c3-2(4,1(7)10-6)11(5,8)9
InChIKeyQDBHSTYSNMEHAC-UHFFFAOYSA-N
XLogP0.77
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.98
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tri(propan-2-yl)silyl 2,2-difluoro-2-fluorosulfonylacetate
CID 87764998
potassium;2,2-difluoro-2-fluorosulfonylacetic acid;hydride
CID 174884700
(2-prop-1-en-2-ylcyclohexyl) 2,2-difluoro-2-fluorosulfonylacetate
CID 147226644
2-fluoro-2-fluorosulfonylpropanoic acid
CID 139448801
(2,2,2-trifluoroacetyl)oxysulfonyl 2,2,2-trifluoroacetate
CID 87313156
1,1,2,2,3,3,3-heptafluoropropyl 3,3,3-trifluoro-2-fluorosulfonyl-2-(trifluoromethyl)propanoate
CID 134925930
1,1-difluoro-2-oxo-2-triethylsilyloxyethanesulfonic acid
CID 157431021
1,1,2,2-tetrafluoro-2-iodoethanesulfonyl fluoride
CID 19898065
2-(ethoxymethoxy)-1,1-difluoro-2-oxoethanesulfonic acid
CID 118231624
lithium;hydride;bis(1,1,2,2-tetrafluoroethane-1,2-disulfonyl fluoride)
CID 173049005
(2,2-difluoro-4-iodobutanoyl) 2,2-difluoro-4-iodobutanoate
CID 54320664
5-bromo-2-(trifluoromethyl)pyridine;2,5-dibromopyridine;methane;methyl 2,2-difluoro-2-fluorosulfonylacetate
CID 161260043

Frequently Asked Questions

What is the IUPAC name of iodo 2,2-difluoro-2-fluorosulfonylacetate?
The IUPAC name of iodo 2,2-difluoro-2-fluorosulfonylacetate (CID 156548893) is iodo 2,2-difluoro-2-fluorosulfonylacetate.
What is the SMILES notation for iodo 2,2-difluoro-2-fluorosulfonylacetate?
The canonical SMILES for iodo 2,2-difluoro-2-fluorosulfonylacetate is O=C(OI)C(F)(F)S(=O)(=O)F.
What is the InChIKey of iodo 2,2-difluoro-2-fluorosulfonylacetate?
The InChIKey is QDBHSTYSNMEHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F3IO4S/c3-2(4,1(7)10-6)11(5,8)9.
What are the key properties of iodo 2,2-difluoro-2-fluorosulfonylacetate?
iodo 2,2-difluoro-2-fluorosulfonylacetate has a molecular weight of 303.98 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iodo 2,2-difluoro-2-fluorosulfonylacetate is sourced from PubChem (CID 156548893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).