1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuryl difluoride

C4F12O2S — CID 87064196

IUPAC1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuryl difluoride
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(F)F
InChIInChI=1S/C4F10.F2O2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)14;1-5(2,3)4
InChIKeyFRZFJWVFYOPKFF-UHFFFAOYSA-N
MW340.09 g/mol
LogP3.55
Rot. Bonds1

About 1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuryl difluoride

1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuryl difluoride (PubChem CID 87064196) has the molecular formula C4F12O2S and a molecular weight of 340.09 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuryl difluoride.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuryl difluoride
PubChem CID87064196
Molecular FormulaC4F12O2S
Molecular Weight340.09 g/mol
Exact Mass339.94
IUPAC Name1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuryl difluoride
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(F)F
InChIInChI=1S/C4F10.F2O2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)14;1-5(2,3)4
InChIKeyFRZFJWVFYOPKFF-UHFFFAOYSA-N
XLogP3.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.09
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2,3,3,4,4-Nonafluorobutane;sulfuryl difluoride
CID 87077844
1,1,1,2,2,2-Hexafluoroethane;sulfuryl difluoride
CID 87247541
1,1,1,2,2,3,3,4,4,5,5,5-Dodecafluoropentane;sulfuryl difluoride
CID 89428495
Sulfuryl difluoride;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22590239
1,1,1,2,2,3,3,4,4,4-Decafluorobutane;sulfurofluoridic acid
CID 22714822
1,1,1,2,2,3,3,3-Octafluoropropane;sulfuryl difluoride
CID 87247763
1,1,1,2,2,3,3,4,4,4-Decafluorobutane;fluorosulfonyl hypofluorite
CID 88010786
1,1,1,2,2,3,3,4,4,4-Decafluorobutane;difluoro sulfate
CID 88326718
Potassium;1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydride;sulfur dioxide
CID 173501032
CID 174488780
CID 174488780
Sulfuryl difluoride;bis(1,1,2,2-tetrafluoroethene)
CID 174625790
1,1,1,2,2,3,3,3-Octafluoropropane;sulfur dioxide
CID 175557658

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuryl difluoride?
The IUPAC name of 1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuryl difluoride (CID 87064196) is 1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuryl difluoride.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuryl difluoride?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuryl difluoride is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuryl difluoride?
The InChIKey is FRZFJWVFYOPKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F10.F2O2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)14;1-5(2,3)4.
What are the key properties of 1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuryl difluoride?
1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuryl difluoride has a molecular weight of 340.09 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,4-decafluorobutane;sulfuryl difluoride is sourced from PubChem (CID 87064196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).