[2-(difluoromethylidene)-4,5-difluoro-5-(fluoromethyl)-1,3-dioxolan-4-yl]methanesulfonyl fluoride;sulfur dioxide

C6H4F6O6S2 — CID 123398569

IUPAC[2-(difluoromethylidene)-4,5-difluoro-5-(fluoromethyl)-1,3-dioxolan-4-yl]methanesulfonyl fluoride;sulfur dioxide
SMILESO=S(=O)(F)CC1(F)OC(=C(F)F)OC1(F)CF.O=S=O
InChIInChI=1S/C6H4F6O4S.O2S/c7-1-5(10)6(11,2-17(12,13)14)16-4(15-5)3(8)9;1-3-2/h1-2H2;
InChIKeyQKZINDDSHYJVFP-UHFFFAOYSA-N
MW350.21 g/mol
LogP1.03
Rot. Bonds3

About [2-(difluoromethylidene)-4,5-difluoro-5-(fluoromethyl)-1,3-dioxolan-4-yl]methanesulfonyl fluoride;sulfur dioxide

[2-(difluoromethylidene)-4,5-difluoro-5-(fluoromethyl)-1,3-dioxolan-4-yl]methanesulfonyl fluoride;sulfur dioxide (PubChem CID 123398569) has the molecular formula C6H4F6O6S2 and a molecular weight of 350.21 g/mol. Its IUPAC name is [2-(difluoromethylidene)-4,5-difluoro-5-(fluoromethyl)-1,3-dioxolan-4-yl]methanesulfonyl fluoride;sulfur dioxide.

Molecular Properties

Compound Name[2-(difluoromethylidene)-4,5-difluoro-5-(fluoromethyl)-1,3-dioxolan-4-yl]methanesulfonyl fluoride;sulfur dioxide
PubChem CID123398569
Molecular FormulaC6H4F6O6S2
Molecular Weight350.21 g/mol
Exact Mass349.94
IUPAC Name[2-(difluoromethylidene)-4,5-difluoro-5-(fluoromethyl)-1,3-dioxolan-4-yl]methanesulfonyl fluoride;sulfur dioxide
SMILESO=S(=O)(F)CC1(F)OC(=C(F)F)OC1(F)CF.O=S=O
InChIInChI=1S/C6H4F6O4S.O2S/c7-1-5(10)6(11,2-17(12,13)14)16-4(15-5)3(8)9;1-3-2/h1-2H2;
InChIKeyQKZINDDSHYJVFP-UHFFFAOYSA-N
XLogP1.03
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-ethyl-4,5-difluoro-5-(fluoromethyl)-2-methyl-1,3-dioxolan-4-yl]methanesulfonyl fluoride
CID 58201875
2-(difluoromethylidene)-4-[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-1,3-dioxolane
CID 58017921
hypofluorous acid;sulfur dioxide
CID 174723579
(Z)-1,4-dibromobut-2-ene;3,3-difluorooxathietane 2,2-dioxide;(Z)-4-fluorobut-2-ene-1-sulfonyl fluoride;sulfur dioxide
CID 158162251
4-[[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethoxy]-difluoromethyl]-2,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane
CID 89341117
2,2-difluoro-8-(2-fluoro-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one
CID 123819481
4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carboxylic acid
CID 140543544
2-(difluoromethylidene)-4,4-difluoro-5-methyl-5-(trifluoromethyl)-1,3-dioxane
CID 129105546
1-(fluorosulfonylmethylamino)ethenesulfonyl fluoride
CID 89351815
fluoromethanesulfonic acid;methanesulfonic acid
CID 87286738
butane;sulfur dioxide;sulfuric acid
CID 174729220
2-(1,1-difluoroethyl)-2,3,5,5,6,6-hexafluoro-3-(fluoromethyl)-1,4-dioxane
CID 58545276

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethylidene)-4,5-difluoro-5-(fluoromethyl)-1,3-dioxolan-4-yl]methanesulfonyl fluoride;sulfur dioxide?
The IUPAC name of [2-(difluoromethylidene)-4,5-difluoro-5-(fluoromethyl)-1,3-dioxolan-4-yl]methanesulfonyl fluoride;sulfur dioxide (CID 123398569) is [2-(difluoromethylidene)-4,5-difluoro-5-(fluoromethyl)-1,3-dioxolan-4-yl]methanesulfonyl fluoride;sulfur dioxide.
What is the SMILES notation for [2-(difluoromethylidene)-4,5-difluoro-5-(fluoromethyl)-1,3-dioxolan-4-yl]methanesulfonyl fluoride;sulfur dioxide?
The canonical SMILES for [2-(difluoromethylidene)-4,5-difluoro-5-(fluoromethyl)-1,3-dioxolan-4-yl]methanesulfonyl fluoride;sulfur dioxide is O=S(=O)(F)CC1(F)OC(=C(F)F)OC1(F)CF.O=S=O.
What is the InChIKey of [2-(difluoromethylidene)-4,5-difluoro-5-(fluoromethyl)-1,3-dioxolan-4-yl]methanesulfonyl fluoride;sulfur dioxide?
The InChIKey is QKZINDDSHYJVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6O4S.O2S/c7-1-5(10)6(11,2-17(12,13)14)16-4(15-5)3(8)9;1-3-2/h1-2H2;.
What are the key properties of [2-(difluoromethylidene)-4,5-difluoro-5-(fluoromethyl)-1,3-dioxolan-4-yl]methanesulfonyl fluoride;sulfur dioxide?
[2-(difluoromethylidene)-4,5-difluoro-5-(fluoromethyl)-1,3-dioxolan-4-yl]methanesulfonyl fluoride;sulfur dioxide has a molecular weight of 350.21 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethylidene)-4,5-difluoro-5-(fluoromethyl)-1,3-dioxolan-4-yl]methanesulfonyl fluoride;sulfur dioxide is sourced from PubChem (CID 123398569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).