pentakis(trifluoromethanesulfonate);vanadium

C5F15O15S5V-5 — CID 140617079

IUPACpentakis(trifluoromethanesulfonate);vanadium
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[V]
InChIInChI=1S/5CHF3O3S.V/c5*2-1(3,4)8(5,6)7;/h5*(H,5,6,7);/p-5
InChIKeyGYDXEWBQTMSJGF-UHFFFAOYSA-I
MW796.29 g/mol
LogP0.25
Rot. Bonds

About pentakis(trifluoromethanesulfonate);vanadium

pentakis(trifluoromethanesulfonate);vanadium (PubChem CID 140617079) has the molecular formula C5F15O15S5V-5 and a molecular weight of 796.29 g/mol. Its IUPAC name is pentakis(trifluoromethanesulfonate);vanadium.

Molecular Properties

Compound Namepentakis(trifluoromethanesulfonate);vanadium
PubChem CID140617079
Molecular FormulaC5F15O15S5V-5
Molecular Weight796.29 g/mol
Exact Mass795.71
IUPAC Namepentakis(trifluoromethanesulfonate);vanadium
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[V]
InChIInChI=1S/5CHF3O3S.V/c5*2-1(3,4)8(5,6)7;/h5*(H,5,6,7);/p-5
InChIKeyGYDXEWBQTMSJGF-UHFFFAOYSA-I
XLogP0.25
TPSA286.00 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.29
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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Related Compounds

scandium(3+);bis(trifluoromethanesulfonate)
CID 135121751
CID 170997250
CID 170997250
dodecakis(cerium(3+));(trifluoromethanesulfonate)
CID 173221749
dilithium;hydride;trifluoromethanesulfonate
CID 173362891
lanthanum(3+);tris(trifluoromethanesulfonate);hydrate
CID 71311383
oxygen(2-);bis(trifluoromethanesulfonate);zirconium(4+)
CID 24866233
copper;bis(trifluoromethanesulfonate);trihydrate
CID 140682148
lanthanum(3+);trifluoromethanesulfonate;hydrate
CID 22625223
scandium(3+);tris(trifluoromethanesulfonate);hydrate
CID 134128705
erbium(3+);tris(trifluoromethanesulfonate);hydrate
CID 141284699
trifluoromethanesulfonate;trimethylstannanylium
CID 119095664
dimethylalumanylium;trifluoromethanesulfonate
CID 16688558

Frequently Asked Questions

What is the IUPAC name of pentakis(trifluoromethanesulfonate);vanadium?
The IUPAC name of pentakis(trifluoromethanesulfonate);vanadium (CID 140617079) is pentakis(trifluoromethanesulfonate);vanadium.
What is the SMILES notation for pentakis(trifluoromethanesulfonate);vanadium?
The canonical SMILES for pentakis(trifluoromethanesulfonate);vanadium is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[V].
What is the InChIKey of pentakis(trifluoromethanesulfonate);vanadium?
The InChIKey is GYDXEWBQTMSJGF-UHFFFAOYSA-I. The full InChI is InChI=1S/5CHF3O3S.V/c5*2-1(3,4)8(5,6)7;/h5*(H,5,6,7);/p-5.
What are the key properties of pentakis(trifluoromethanesulfonate);vanadium?
pentakis(trifluoromethanesulfonate);vanadium has a molecular weight of 796.29 g/mol, XLogP of 0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(trifluoromethanesulfonate);vanadium is sourced from PubChem (CID 140617079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).