[1-[2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] 1,1,2,2,2-pentafluoroethanesulfonate

C24H12F10O6S2 — CID 11215928

IUPAC[1-[2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] 1,1,2,2,2-pentafluoroethanesulfonate
SMILESO=S(=O)(Oc1ccc2ccccc2c1-c1c(OS(=O)(=O)C(F)(F)C(F)(F)F)ccc2ccccc12)C(F)(F)C(F)(F)F
InChIInChI=1S/C24H12F10O6S2/c25-21(26,27)23(31,32)41(35,36)39-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)40-42(37,38)24(33,34)22(28,29)30/h1-12H
InChIKeyWKMLVOVWGYXFLU-UHFFFAOYSA-N
MW650.47 g/mol
LogP7.39
Rot. Bonds7

About [1-[2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] 1,1,2,2,2-pentafluoroethanesulfonate

[1-[2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] 1,1,2,2,2-pentafluoroethanesulfonate (PubChem CID 11215928) has the molecular formula C24H12F10O6S2 and a molecular weight of 650.47 g/mol. Its IUPAC name is [1-[2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] 1,1,2,2,2-pentafluoroethanesulfonate.

Molecular Properties

Compound Name[1-[2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] 1,1,2,2,2-pentafluoroethanesulfonate
PubChem CID11215928
Molecular FormulaC24H12F10O6S2
Molecular Weight650.47 g/mol
Exact Mass649.99
IUPAC Name[1-[2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] 1,1,2,2,2-pentafluoroethanesulfonate
SMILESO=S(=O)(Oc1ccc2ccccc2c1-c1c(OS(=O)(=O)C(F)(F)C(F)(F)F)ccc2ccccc12)C(F)(F)C(F)(F)F
InChIInChI=1S/C24H12F10O6S2/c25-21(26,27)23(31,32)41(35,36)39-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)40-42(37,38)24(33,34)22(28,29)30/h1-12H
InChIKeyWKMLVOVWGYXFLU-UHFFFAOYSA-N
XLogP7.39
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.47
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] 1,1,2,2,2-pentafluoroethanesulfonate?
The IUPAC name of [1-[2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] 1,1,2,2,2-pentafluoroethanesulfonate (CID 11215928) is [1-[2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] 1,1,2,2,2-pentafluoroethanesulfonate.
What is the SMILES notation for [1-[2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] 1,1,2,2,2-pentafluoroethanesulfonate?
The canonical SMILES for [1-[2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] 1,1,2,2,2-pentafluoroethanesulfonate is O=S(=O)(Oc1ccc2ccccc2c1-c1c(OS(=O)(=O)C(F)(F)C(F)(F)F)ccc2ccccc12)C(F)(F)C(F)(F)F.
What is the InChIKey of [1-[2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] 1,1,2,2,2-pentafluoroethanesulfonate?
The InChIKey is WKMLVOVWGYXFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12F10O6S2/c25-21(26,27)23(31,32)41(35,36)39-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)40-42(37,38)24(33,34)22(28,29)30/h1-12H.
What are the key properties of [1-[2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] 1,1,2,2,2-pentafluoroethanesulfonate?
[1-[2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] 1,1,2,2,2-pentafluoroethanesulfonate has a molecular weight of 650.47 g/mol, XLogP of 7.39, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] 1,1,2,2,2-pentafluoroethanesulfonate is sourced from PubChem (CID 11215928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).