1-[bis(1,1,2,2,2-pentafluoroethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane

C7HF15O6S3 — CID 59409367

IUPAC1-[bis(1,1,2,2,2-pentafluoroethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane
SMILESO=S(=O)(C(S(=O)(=O)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7HF15O6S3/c8-2(9,10)5(17,18)29(23,24)1(30(25,26)6(19,20)3(11,12)13)31(27,28)7(21,22)4(14,15)16/h1H
InChIKeyCAKDDIRYHQGITO-UHFFFAOYSA-N
MW562.25 g/mol
LogP2.98
Rot. Bonds6

About 1-[bis(1,1,2,2,2-pentafluoroethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane

1-[bis(1,1,2,2,2-pentafluoroethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane (PubChem CID 59409367) has the molecular formula C7HF15O6S3 and a molecular weight of 562.25 g/mol. Its IUPAC name is 1-[bis(1,1,2,2,2-pentafluoroethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane.

Molecular Properties

Compound Name1-[bis(1,1,2,2,2-pentafluoroethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane
PubChem CID59409367
Molecular FormulaC7HF15O6S3
Molecular Weight562.25 g/mol
Exact Mass561.87
IUPAC Name1-[bis(1,1,2,2,2-pentafluoroethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane
SMILESO=S(=O)(C(S(=O)(=O)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7HF15O6S3/c8-2(9,10)5(17,18)29(23,24)1(30(25,26)6(19,20)3(11,12)13)31(27,28)7(21,22)4(14,15)16/h1H
InChIKeyCAKDDIRYHQGITO-UHFFFAOYSA-N
XLogP2.98
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.25
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;sulfane
CID 175721690
1-[bis(1,1,2,2,2-pentafluoroethylsulfonyl)methyl]-2,3,4,5,6-pentafluorobenzene
CID 59584279
4,4-bis(1,1,2,2,2-pentafluoroethylsulfonyl)butan-2-ol
CID 88964962
1,1,1,2,2,3,3,4,4-nonafluoro-4-[1,1,3,3,4,4,4-heptafluorobutylsulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)methyl]sulfonylbutane
CID 59409387
1,1,2,2,2-pentafluoroethanesulfonate
CID 22062497
lithium;hydride;1,1,2,2,2-pentafluoroethanesulfonic acid
CID 173036129
dilithium bis(1,1,2,2,2-pentafluoroethanesulfonate)
CID 153294032
methane;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane
CID 157404640
2-amino-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)acetic acid
CID 152698822
1-(1,1,2,2,2-pentafluoroethylsulfonyl)-1-(trifluoromethylsulfonyl)pentan-3-ol
CID 88964966
1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonyl)propane
CID 22105014
potassium 1,1,2,2,2-pentafluoroethanesulfonate
CID 23666373

Frequently Asked Questions

What is the IUPAC name of 1-[bis(1,1,2,2,2-pentafluoroethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane?
The IUPAC name of 1-[bis(1,1,2,2,2-pentafluoroethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane (CID 59409367) is 1-[bis(1,1,2,2,2-pentafluoroethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane.
What is the SMILES notation for 1-[bis(1,1,2,2,2-pentafluoroethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane?
The canonical SMILES for 1-[bis(1,1,2,2,2-pentafluoroethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane is O=S(=O)(C(S(=O)(=O)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-[bis(1,1,2,2,2-pentafluoroethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane?
The InChIKey is CAKDDIRYHQGITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF15O6S3/c8-2(9,10)5(17,18)29(23,24)1(30(25,26)6(19,20)3(11,12)13)31(27,28)7(21,22)4(14,15)16/h1H.
What are the key properties of 1-[bis(1,1,2,2,2-pentafluoroethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane?
1-[bis(1,1,2,2,2-pentafluoroethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane has a molecular weight of 562.25 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(1,1,2,2,2-pentafluoroethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane is sourced from PubChem (CID 59409367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).