2-(2,2,3,3,4,4-hexafluorobutylsulfonyloxy)ethyl 2,2,3,3,4,4-hexafluorobutane-1-sulfonate

C10H10F12O6S2 — CID 157070240

IUPAC2-(2,2,3,3,4,4-hexafluorobutylsulfonyloxy)ethyl 2,2,3,3,4,4-hexafluorobutane-1-sulfonate
SMILESO=S(=O)(CC(F)(F)C(F)(F)C(F)F)OCCOS(=O)(=O)CC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H10F12O6S2/c11-5(12)9(19,20)7(15,16)3-29(23,24)27-1-2-28-30(25,26)4-8(17,18)10(21,22)6(13)14/h5-6H,1-4H2
InChIKeyACIOCTIPBFVWHZ-UHFFFAOYSA-N
MW518.29 g/mol
LogP2.75
Rot. Bonds13

About 2-(2,2,3,3,4,4-hexafluorobutylsulfonyloxy)ethyl 2,2,3,3,4,4-hexafluorobutane-1-sulfonate

2-(2,2,3,3,4,4-hexafluorobutylsulfonyloxy)ethyl 2,2,3,3,4,4-hexafluorobutane-1-sulfonate (PubChem CID 157070240) has the molecular formula C10H10F12O6S2 and a molecular weight of 518.29 g/mol. Its IUPAC name is 2-(2,2,3,3,4,4-hexafluorobutylsulfonyloxy)ethyl 2,2,3,3,4,4-hexafluorobutane-1-sulfonate.

Molecular Properties

Compound Name2-(2,2,3,3,4,4-hexafluorobutylsulfonyloxy)ethyl 2,2,3,3,4,4-hexafluorobutane-1-sulfonate
PubChem CID157070240
Molecular FormulaC10H10F12O6S2
Molecular Weight518.29 g/mol
Exact Mass517.97
IUPAC Name2-(2,2,3,3,4,4-hexafluorobutylsulfonyloxy)ethyl 2,2,3,3,4,4-hexafluorobutane-1-sulfonate
SMILESO=S(=O)(CC(F)(F)C(F)(F)C(F)F)OCCOS(=O)(=O)CC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H10F12O6S2/c11-5(12)9(19,20)7(15,16)3-29(23,24)27-1-2-28-30(25,26)4-8(17,18)10(21,22)6(13)14/h5-6H,1-4H2
InChIKeyACIOCTIPBFVWHZ-UHFFFAOYSA-N
XLogP2.75
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,2-trifluoroethanesulfonate
CID 170900580
3-(2,2,2-trifluoroethylsulfonyloxy)butyl 2,2,2-trifluoroethanesulfonate
CID 21102771
ethyl 2,2,3,3,4,4,4-heptafluorobutane-1-sulfonate
CID 150640149
2,3-bis(2,2,3,3,4,4,4-heptafluorobutylsulfonyloxy)propyl 2,2,3,3,4,4,4-heptafluorobutane-1-sulfonate
CID 21102709
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl methyl sulfate
CID 148576735
2,2,3,3,4,4-hexafluoro-N-methyl-N-propan-2-ylbutan-1-amine
CID 142573790
4-(1,1,2,2-tetrafluoroethylsulfonyloxy)butyl 1,1,2,2-tetrafluoroethanesulfonate
CID 87128388
2,2-bis(2,2,3,3,3-pentafluoropropylsulfonyloxymethyl)butyl 2,2,3,3,3-pentafluoropropane-1-sulfonate
CID 21103028
2-amino-3-(2,2,3,3,4,4,5,5-octafluoropentoxysulfonyl)propanoic acid
CID 3564802
N,1,1,2,2,3,3-heptafluoropropane-1-sulfonamide
CID 90745791
1,1,2,2,3,3-hexafluoropropane-1-sulfonamide
CID 162553244
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trifluoro)-lambda4-sulfane
CID 12653219

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3,4,4-hexafluorobutylsulfonyloxy)ethyl 2,2,3,3,4,4-hexafluorobutane-1-sulfonate?
The IUPAC name of 2-(2,2,3,3,4,4-hexafluorobutylsulfonyloxy)ethyl 2,2,3,3,4,4-hexafluorobutane-1-sulfonate (CID 157070240) is 2-(2,2,3,3,4,4-hexafluorobutylsulfonyloxy)ethyl 2,2,3,3,4,4-hexafluorobutane-1-sulfonate.
What is the SMILES notation for 2-(2,2,3,3,4,4-hexafluorobutylsulfonyloxy)ethyl 2,2,3,3,4,4-hexafluorobutane-1-sulfonate?
The canonical SMILES for 2-(2,2,3,3,4,4-hexafluorobutylsulfonyloxy)ethyl 2,2,3,3,4,4-hexafluorobutane-1-sulfonate is O=S(=O)(CC(F)(F)C(F)(F)C(F)F)OCCOS(=O)(=O)CC(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2-(2,2,3,3,4,4-hexafluorobutylsulfonyloxy)ethyl 2,2,3,3,4,4-hexafluorobutane-1-sulfonate?
The InChIKey is ACIOCTIPBFVWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F12O6S2/c11-5(12)9(19,20)7(15,16)3-29(23,24)27-1-2-28-30(25,26)4-8(17,18)10(21,22)6(13)14/h5-6H,1-4H2.
What are the key properties of 2-(2,2,3,3,4,4-hexafluorobutylsulfonyloxy)ethyl 2,2,3,3,4,4-hexafluorobutane-1-sulfonate?
2-(2,2,3,3,4,4-hexafluorobutylsulfonyloxy)ethyl 2,2,3,3,4,4-hexafluorobutane-1-sulfonate has a molecular weight of 518.29 g/mol, XLogP of 2.75, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,4,4-hexafluorobutylsulfonyloxy)ethyl 2,2,3,3,4,4-hexafluorobutane-1-sulfonate is sourced from PubChem (CID 157070240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).