boric acid;trifluoromethanesulfonic acid

CH4BF3O6S — CID 161076085

IUPACboric acid;trifluoromethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)F.OB(O)O
InChIInChI=1S/CHF3O3S.BH3O3/c2-1(3,4)8(5,6)7;2-1(3)4/h(H,5,6,7);2-4H
InChIKeyUFHHKLPNSSBHPW-UHFFFAOYSA-N
MW211.91 g/mol
LogP-1.66
Rot. Bonds

About boric acid;trifluoromethanesulfonic acid

boric acid;trifluoromethanesulfonic acid (PubChem CID 161076085) has the molecular formula CH4BF3O6S and a molecular weight of 211.91 g/mol. Its IUPAC name is boric acid;trifluoromethanesulfonic acid.

Molecular Properties

Compound Nameboric acid;trifluoromethanesulfonic acid
PubChem CID161076085
Molecular FormulaCH4BF3O6S
Molecular Weight211.91 g/mol
Exact Mass211.98
IUPAC Nameboric acid;trifluoromethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)F.OB(O)O
InChIInChI=1S/CHF3O3S.BH3O3/c2-1(3,4)8(5,6)7;2-1(3)4/h(H,5,6,7);2-4H
InChIKeyUFHHKLPNSSBHPW-UHFFFAOYSA-N
XLogP-1.66
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.91
LogP ≤ 5-1.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

platinum;trifluoromethanesulfonic acid
CID 87655055
bis(trifluoromethanesulfonic acid);ytterbium
CID 72641674
trifluoromethanesulfonic acid;zinc
CID 45051803
osmium;bis(trifluoromethanesulfonic acid)
CID 174919112
trifluoromethanesulfonic acid;hydrofluoride
CID 87139590
bis(trifluoromethanesulfonic acid);zinc;hydrate
CID 175736701
azane;osmium;tris(trifluoromethanesulfonic acid)
CID 85298772
strontium;hydride;trifluoromethanesulfonic acid
CID 173218356
hafnium;trifluoromethanesulfonic acid;hydrate
CID 174756468
iodomethane;trifluoromethanesulfonic acid
CID 87959782
benzene;trifluoromethanesulfonic acid
CID 87157881
phosphane;trifluoromethanesulfonic acid;zinc;hydrofluoride
CID 174954004

Frequently Asked Questions

What is the IUPAC name of boric acid;trifluoromethanesulfonic acid?
The IUPAC name of boric acid;trifluoromethanesulfonic acid (CID 161076085) is boric acid;trifluoromethanesulfonic acid.
What is the SMILES notation for boric acid;trifluoromethanesulfonic acid?
The canonical SMILES for boric acid;trifluoromethanesulfonic acid is O=S(=O)(O)C(F)(F)F.OB(O)O.
What is the InChIKey of boric acid;trifluoromethanesulfonic acid?
The InChIKey is UFHHKLPNSSBHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/CHF3O3S.BH3O3/c2-1(3,4)8(5,6)7;2-1(3)4/h(H,5,6,7);2-4H.
What are the key properties of boric acid;trifluoromethanesulfonic acid?
boric acid;trifluoromethanesulfonic acid has a molecular weight of 211.91 g/mol, XLogP of -1.66, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;trifluoromethanesulfonic acid is sourced from PubChem (CID 161076085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).