bis(1,1,2,2,2-pentafluoroethylsulfonyloxy)borinic acid

C4HBF10O7S2 — CID 175605694

IUPACbis(1,1,2,2,2-pentafluoroethylsulfonyloxy)borinic acid
SMILESO=S(=O)(OB(O)OS(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HBF10O7S2/c6-1(7,8)3(12,13)23(17,18)21-5(16)22-24(19,20)4(14,15)2(9,10)11/h16H
InChIKeyFQCCVOPENQSLGG-UHFFFAOYSA-N
MW425.97 g/mol
LogP0.97
Rot. Bonds6

About bis(1,1,2,2,2-pentafluoroethylsulfonyloxy)borinic acid

bis(1,1,2,2,2-pentafluoroethylsulfonyloxy)borinic acid (PubChem CID 175605694) has the molecular formula C4HBF10O7S2 and a molecular weight of 425.97 g/mol. Its IUPAC name is bis(1,1,2,2,2-pentafluoroethylsulfonyloxy)borinic acid.

Molecular Properties

Compound Namebis(1,1,2,2,2-pentafluoroethylsulfonyloxy)borinic acid
PubChem CID175605694
Molecular FormulaC4HBF10O7S2
Molecular Weight425.97 g/mol
Exact Mass425.91
IUPAC Namebis(1,1,2,2,2-pentafluoroethylsulfonyloxy)borinic acid
SMILESO=S(=O)(OB(O)OS(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HBF10O7S2/c6-1(7,8)3(12,13)23(17,18)21-5(16)22-24(19,20)4(14,15)2(9,10)11/h16H
InChIKeyFQCCVOPENQSLGG-UHFFFAOYSA-N
XLogP0.97
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.97
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

lithium;fluoro 1,1,2,2,2-pentafluoroethanesulfonate;hydride
CID 173320914
ethyl 1,1,2,2,2-pentafluoroethanesulfonate
CID 19098750
prop-2-ynyl 1,1,2,2,2-pentafluoroethanesulfonate
CID 87128632
boric acid;trifluoromethanesulfonic acid
CID 161076085
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
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-heptatetracontafluorotricosylsulfonyl 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-heptatetracontafluorotricosane-1-sulfonate
CID 88836150
potassium 1,1,2,2,2-pentafluoroethanesulfonate
CID 23666373
1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonyl)propane
CID 22105014
lithium 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
CID 173034743
1-[bis(1,1,2,2,2-pentafluoroethylsulfonyl)methylsulfonyl]-1,1,2,2,2-pentafluoroethane
CID 59409367

Frequently Asked Questions

What is the IUPAC name of bis(1,1,2,2,2-pentafluoroethylsulfonyloxy)borinic acid?
The IUPAC name of bis(1,1,2,2,2-pentafluoroethylsulfonyloxy)borinic acid (CID 175605694) is bis(1,1,2,2,2-pentafluoroethylsulfonyloxy)borinic acid.
What is the SMILES notation for bis(1,1,2,2,2-pentafluoroethylsulfonyloxy)borinic acid?
The canonical SMILES for bis(1,1,2,2,2-pentafluoroethylsulfonyloxy)borinic acid is O=S(=O)(OB(O)OS(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of bis(1,1,2,2,2-pentafluoroethylsulfonyloxy)borinic acid?
The InChIKey is FQCCVOPENQSLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBF10O7S2/c6-1(7,8)3(12,13)23(17,18)21-5(16)22-24(19,20)4(14,15)2(9,10)11/h16H.
What are the key properties of bis(1,1,2,2,2-pentafluoroethylsulfonyloxy)borinic acid?
bis(1,1,2,2,2-pentafluoroethylsulfonyloxy)borinic acid has a molecular weight of 425.97 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,2,2,2-pentafluoroethylsulfonyloxy)borinic acid is sourced from PubChem (CID 175605694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).