sulfuryl difluoride;1,1,2,2-tetrafluoro-1-iodo-2-(1,2,2,2-tetrafluoroethoxy)ethane

C4HF10IO3S — CID 87766488

IUPACsulfuryl difluoride;1,1,2,2-tetrafluoro-1-iodo-2-(1,2,2,2-tetrafluoroethoxy)ethane
SMILESFC(OC(F)(F)C(F)(F)I)C(F)(F)F.O=S(=O)(F)F
InChIInChI=1S/C4HF8IO.F2O2S/c5-1(2(6,7)8)14-4(11,12)3(9,10)13;1-5(2,3)4/h1H;
InChIKeyWOOAESXURUNERF-UHFFFAOYSA-N
MW446.00 g/mol
LogP3.65
Rot. Bonds3

About sulfuryl difluoride;1,1,2,2-tetrafluoro-1-iodo-2-(1,2,2,2-tetrafluoroethoxy)ethane

sulfuryl difluoride;1,1,2,2-tetrafluoro-1-iodo-2-(1,2,2,2-tetrafluoroethoxy)ethane (PubChem CID 87766488) has the molecular formula C4HF10IO3S and a molecular weight of 446.00 g/mol. Its IUPAC name is sulfuryl difluoride;1,1,2,2-tetrafluoro-1-iodo-2-(1,2,2,2-tetrafluoroethoxy)ethane.

Molecular Properties

Compound Namesulfuryl difluoride;1,1,2,2-tetrafluoro-1-iodo-2-(1,2,2,2-tetrafluoroethoxy)ethane
PubChem CID87766488
Molecular FormulaC4HF10IO3S
Molecular Weight446.00 g/mol
Exact Mass445.85
IUPAC Namesulfuryl difluoride;1,1,2,2-tetrafluoro-1-iodo-2-(1,2,2,2-tetrafluoroethoxy)ethane
SMILESFC(OC(F)(F)C(F)(F)I)C(F)(F)F.O=S(=O)(F)F
InChIInChI=1S/C4HF8IO.F2O2S/c5-1(2(6,7)8)14-4(11,12)3(9,10)13;1-5(2,3)4/h1H;
InChIKeyWOOAESXURUNERF-UHFFFAOYSA-N
XLogP3.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.00
LogP ≤ 53.65
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sulfuryl difluoride;1,1,2,2-tetrafluoro-1-iodo-2-(1,2,2,2-tetrafluoroethoxy)ethane?
The IUPAC name of sulfuryl difluoride;1,1,2,2-tetrafluoro-1-iodo-2-(1,2,2,2-tetrafluoroethoxy)ethane (CID 87766488) is sulfuryl difluoride;1,1,2,2-tetrafluoro-1-iodo-2-(1,2,2,2-tetrafluoroethoxy)ethane.
What is the SMILES notation for sulfuryl difluoride;1,1,2,2-tetrafluoro-1-iodo-2-(1,2,2,2-tetrafluoroethoxy)ethane?
The canonical SMILES for sulfuryl difluoride;1,1,2,2-tetrafluoro-1-iodo-2-(1,2,2,2-tetrafluoroethoxy)ethane is FC(OC(F)(F)C(F)(F)I)C(F)(F)F.O=S(=O)(F)F.
What is the InChIKey of sulfuryl difluoride;1,1,2,2-tetrafluoro-1-iodo-2-(1,2,2,2-tetrafluoroethoxy)ethane?
The InChIKey is WOOAESXURUNERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF8IO.F2O2S/c5-1(2(6,7)8)14-4(11,12)3(9,10)13;1-5(2,3)4/h1H;.
What are the key properties of sulfuryl difluoride;1,1,2,2-tetrafluoro-1-iodo-2-(1,2,2,2-tetrafluoroethoxy)ethane?
sulfuryl difluoride;1,1,2,2-tetrafluoro-1-iodo-2-(1,2,2,2-tetrafluoroethoxy)ethane has a molecular weight of 446.00 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuryl difluoride;1,1,2,2-tetrafluoro-1-iodo-2-(1,2,2,2-tetrafluoroethoxy)ethane is sourced from PubChem (CID 87766488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).