methane;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane

C5H8F6O6S3 — CID 157404640

IUPACmethane;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane
SMILESC.CS(=O)(=O)C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H4F6O6S3.CH4/c1-17(11,12)2(18(13,14)3(5,6)7)19(15,16)4(8,9)10;/h2H,1H3;1H4
InChIKeyBNORVILOSSAGQJ-UHFFFAOYSA-N
MW374.30 g/mol
LogP0.82
Rot. Bonds3

About methane;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane

methane;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane (PubChem CID 157404640) has the molecular formula C5H8F6O6S3 and a molecular weight of 374.30 g/mol. Its IUPAC name is methane;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane.

Molecular Properties

Compound Namemethane;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane
PubChem CID157404640
Molecular FormulaC5H8F6O6S3
Molecular Weight374.30 g/mol
Exact Mass373.94
IUPAC Namemethane;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane
SMILESC.CS(=O)(=O)C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H4F6O6S3.CH4/c1-17(11,12)2(18(13,14)3(5,6)7)19(15,16)4(8,9)10;/h2H,1H3;1H4
InChIKeyBNORVILOSSAGQJ-UHFFFAOYSA-N
XLogP0.82
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;sulfane
CID 175721690
1-[bis(trifluoromethylsulfonyl)methylsulfonyl]ethane
CID 89277222
1-(trifluoromethylsulfonyl)ethanol
CID 126732557
trifluoro(methylsulfonyl)methane
CID 11215049
1-[bis(1,1,2,2,2-pentafluoroethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane
CID 59409367
3-fluoro-1,1-bis(trifluoromethylsulfonyl)propane
CID 139244935
1,1-bis(trifluoromethylsulfonyl)ethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane
CID 89179091
bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;iron(2+);penta-1,3-diene
CID 162061609
2,2-bis(trifluoromethylsulfonyl)acetamide
CID 139995086
1,1,1,3,3-pentafluoro-3-methylsulfonylpropan-2-ol
CID 91525496
4,4-bis(trifluoromethylsulfonyl)butyl-chloro-dimethyl-λ4-sulfane
CID 126660364
2,2-difluoro-2-(3-methylbutan-2-ylsulfonyl)acetic acid
CID 107746610

Frequently Asked Questions

What is the IUPAC name of methane;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane?
The IUPAC name of methane;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane (CID 157404640) is methane;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane.
What is the SMILES notation for methane;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane?
The canonical SMILES for methane;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane is C.CS(=O)(=O)C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of methane;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane?
The InChIKey is BNORVILOSSAGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6O6S3.CH4/c1-17(11,12)2(18(13,14)3(5,6)7)19(15,16)4(8,9)10;/h2H,1H3;1H4.
What are the key properties of methane;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane?
methane;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane has a molecular weight of 374.30 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane is sourced from PubChem (CID 157404640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).