bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;sulfane

C4H3F9O6S4 — CID 175721690

IUPACbis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;sulfane
SMILESO=S(=O)(C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.S
InChIInChI=1S/C4HF9O6S3.H2S/c5-2(6,7)20(14,15)1(21(16,17)3(8,9)10)22(18,19)4(11,12)13;/h1H;1H2
InChIKeyKVFIROGEOMKPRQ-UHFFFAOYSA-N
MW446.31 g/mol
LogP1.19
Rot. Bonds3

About bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;sulfane

bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;sulfane (PubChem CID 175721690) has the molecular formula C4H3F9O6S4 and a molecular weight of 446.31 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;sulfane.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;sulfane
PubChem CID175721690
Molecular FormulaC4H3F9O6S4
Molecular Weight446.31 g/mol
Exact Mass445.87
IUPAC Namebis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;sulfane
SMILESO=S(=O)(C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.S
InChIInChI=1S/C4HF9O6S3.H2S/c5-2(6,7)20(14,15)1(21(16,17)3(8,9)10)22(18,19)4(11,12)13;/h1H;1H2
InChIKeyKVFIROGEOMKPRQ-UHFFFAOYSA-N
XLogP1.19
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.31
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[bis(1,1,2,2,2-pentafluoroethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane
CID 59409367
methane;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane
CID 157404640
1-[bis(trifluoromethylsulfonyl)methylsulfonyl]ethane
CID 89277222
3-fluoro-1,1-bis(trifluoromethylsulfonyl)propane
CID 139244935
1-(trifluoromethylsulfonyl)ethanol
CID 126732557
bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;iron(2+);penta-1,3-diene
CID 162061609
bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane
CID 171932746
2,2-bis(trifluoromethylsulfonyl)acetamide
CID 139995086
1-[bis(trifluoromethylsulfonyl)methylsulfonyl]-3-fluorocyclopentane
CID 59584389
1,1,1-trifluoro-2-(trifluoromethyl)-4,4-bis(trifluoromethylsulfonyl)butane
CID 139244923
1,1-bis(trifluoromethylsulfonyl)ethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane
CID 89179091
3-hydroxy-2-(trifluoromethylsulfonyl)propanoic acid
CID 90731655

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;sulfane?
The IUPAC name of bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;sulfane (CID 175721690) is bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;sulfane.
What is the SMILES notation for bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;sulfane?
The canonical SMILES for bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;sulfane is O=S(=O)(C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.S.
What is the InChIKey of bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;sulfane?
The InChIKey is KVFIROGEOMKPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF9O6S3.H2S/c5-2(6,7)20(14,15)1(21(16,17)3(8,9)10)22(18,19)4(11,12)13;/h1H;1H2.
What are the key properties of bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;sulfane?
bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;sulfane has a molecular weight of 446.31 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;sulfane is sourced from PubChem (CID 175721690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).