hafnium(4+);tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate)

C24F20HfO12S4 — CID 140537152

IUPAChafnium(4+);tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate)
SMILESO=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.[Hf+4]
InChIInChI=1S/4C6HF5O3S.Hf/c4*7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;/h4*(H,12,13,14);/q;;;;+4/p-4
InChIKeyFCOPLJWYBJXMHZ-UHFFFAOYSA-J
MW1166.97 g/mol
LogP5.14
Rot. Bonds4

About hafnium(4+);tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate)

hafnium(4+);tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate) (PubChem CID 140537152) has the molecular formula C24F20HfO12S4 and a molecular weight of 1166.97 g/mol. Its IUPAC name is hafnium(4+);tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate).

Molecular Properties

Compound Namehafnium(4+);tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate)
PubChem CID140537152
Molecular FormulaC24F20HfO12S4
Molecular Weight1166.97 g/mol
Exact Mass1167.74
IUPAC Namehafnium(4+);tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate)
SMILESO=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.[Hf+4]
InChIInChI=1S/4C6HF5O3S.Hf/c4*7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;/h4*(H,12,13,14);/q;;;;+4/p-4
InChIKeyFCOPLJWYBJXMHZ-UHFFFAOYSA-J
XLogP5.14
TPSA228.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001166.97
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze hafnium(4+);tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azanium 2,3,4,5,6-pentafluorobenzenesulfonate
CID 139512990
iodophosphanium;2,3,4,5,6-pentafluorobenzenesulfonate
CID 157371741
sodium 2,3,5,6-tetrafluoro-4-sulfanylbenzenesulfonate
CID 177244379
potassium 2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzenesulfonate
CID 101363595
2,3,4,5,6-pentafluorobenzenesulfonate;tripentylsulfanium
CID 161350352
bis(4-chlorophenyl)iodanium;2,3,4,5,6-pentafluorobenzenesulfonate
CID 22389958
sodium 4-acetyloxy-2,3,5,6-tetrafluorobenzenesulfonate
CID 89287891
2,3,4,5,6-pentafluorobenzenesulfonate;triheptylsulfanium
CID 157372474
potassium 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)benzenesulfonate
CID 141230624
bis(4-hydroxyphenyl)-phenylsulfanium;2,3,4,5,6-pentafluorobenzenesulfonate
CID 23133190
2,3,4,5,6-pentafluorobenzenesulfonyl fluoride
CID 11807055
2,3,4,5,6-pentafluorobenzenesulfonamide
CID 2063927

Frequently Asked Questions

What is the IUPAC name of hafnium(4+);tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate)?
The IUPAC name of hafnium(4+);tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate) (CID 140537152) is hafnium(4+);tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate).
What is the SMILES notation for hafnium(4+);tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate)?
The canonical SMILES for hafnium(4+);tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate) is O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.[Hf+4].
What is the InChIKey of hafnium(4+);tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate)?
The InChIKey is FCOPLJWYBJXMHZ-UHFFFAOYSA-J. The full InChI is InChI=1S/4C6HF5O3S.Hf/c4*7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;/h4*(H,12,13,14);/q;;;;+4/p-4.
What are the key properties of hafnium(4+);tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate)?
hafnium(4+);tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate) has a molecular weight of 1166.97 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium(4+);tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate) is sourced from PubChem (CID 140537152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).