oxovanadium(2+);bis(1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,3,3,4,4-heptafluorobutan-2-yloxy)propan-2-yl]oxyethanesulfonate)

C18H4F34O11S2V — CID 139211536

About oxovanadium(2+);bis(1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,3,3,4,4-heptafluorobutan-2-yloxy)propan-2-yl]oxyethanesulfonate)

oxovanadium(2+);bis(1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,3,3,4,4-heptafluorobutan-2-yloxy)propan-2-yl]oxyethanesulfonate) (PubChem CID 139211536) has the molecular formula C18H4F34O11S2V and a molecular weight of 1157.23 g/mol. Its IUPAC name is oxovanadium(2+);bis(1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,3,3,4,4-heptafluorobutan-2-yloxy)propan-2-yl]oxyethanesulfonate).

Molecular Properties

• Compound Name: oxovanadium(2+);bis(1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,3,3,4,4-heptafluorobutan-2-yloxy)propan-2-yl]oxyethanesulfonate)
• PubChem CID: 139211536
• Molecular Formula: C18H4F34O11S2V
• Molecular Weight: 1157.23 g/mol
• Exact Mass: 1156.81
• IUPAC Name: oxovanadium(2+);bis(1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,3,3,4,4-heptafluorobutan-2-yloxy)propan-2-yl]oxyethanesulfonate)
• SMILES: O=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)F)C(F)(F)C(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)F)C(F)(F)C(F)F.O=[V+2]
• InChI: InChI=1S/2C9H3F17O5S.O.V/c2*10-1(11)3(14,15)4(16,2(12)13)30-7(21,22)5(17,6(18,19)20)31-8(23,24)9(25,26)32(27,28)29;;/h2*1-2H,(H,27,28,29);;/q;;;+2/p-2
• InChIKey: NLVGTEGSFQGRTM-UHFFFAOYSA-L
• XLogP: 8.68
• TPSA: 168.39 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 20
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1157.23
LogP ≤ 5	8.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of oxovanadium(2+);bis(1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,3,3,4,4-heptafluorobutan-2-yloxy)propan-2-yl]oxyethanesulfonate)?

The IUPAC name of oxovanadium(2+);bis(1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,3,3,4,4-heptafluorobutan-2-yloxy)propan-2-yl]oxyethanesulfonate) (CID 139211536) is oxovanadium(2+);bis(1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,3,3,4,4-heptafluorobutan-2-yloxy)propan-2-yl]oxyethanesulfonate).

What is the SMILES notation for oxovanadium(2+);bis(1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,3,3,4,4-heptafluorobutan-2-yloxy)propan-2-yl]oxyethanesulfonate)?

The canonical SMILES for oxovanadium(2+);bis(1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,3,3,4,4-heptafluorobutan-2-yloxy)propan-2-yl]oxyethanesulfonate) is O=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)F)C(F)(F)C(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)F)C(F)(F)C(F)F.O=[V+2].

What is the InChIKey of oxovanadium(2+);bis(1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,3,3,4,4-heptafluorobutan-2-yloxy)propan-2-yl]oxyethanesulfonate)?

The InChIKey is NLVGTEGSFQGRTM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H3F17O5S.O.V/c2*10-1(11)3(14,15)4(16,2(12)13)30-7(21,22)5(17,6(18,19)20)31-8(23,24)9(25,26)32(27,28)29;;/h2*1-2H,(H,27,28,29);;/q;;;+2/p-2.

What are the key properties of oxovanadium(2+);bis(1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,3,3,4,4-heptafluorobutan-2-yloxy)propan-2-yl]oxyethanesulfonate)?

oxovanadium(2+);bis(1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,3,3,4,4-heptafluorobutan-2-yloxy)propan-2-yl]oxyethanesulfonate) has a molecular weight of 1157.23 g/mol, XLogP of 8.68, 20 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for oxovanadium(2+);bis(1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,3,3,4,4-heptafluorobutan-2-yloxy)propan-2-yl]oxyethanesulfonate) is sourced from PubChem (CID 139211536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).