sodium tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide

C32H12BF16Na — CID 142744683

IUPACsodium tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide
SMILESC=Cc1c(F)c(F)c([B-](c2c(F)c(F)c(C=C)c(F)c2F)(c2c(F)c(F)c(C=C)c(F)c2F)c2c(F)c(F)c(C=C)c(F)c2F)c(F)c1F.[Na+]
InChIInChI=1S/C32H12BF16.Na/c1-5-9-17(34)25(42)13(26(43)18(9)35)33(14-27(44)19(36)10(6-2)20(37)28(14)45,15-29(46)21(38)11(7-3)22(39)30(15)47)16-31(48)23(40)12(8-4)24(41)32(16)49;/h5-8H,1-4H2;/q-1;+1
InChIKeyHSXSKUFZOAHHGR-UHFFFAOYSA-N
MW734.22 g/mol
LogP4.87
Rot. Bonds8

About sodium tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide

sodium tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide (PubChem CID 142744683) has the molecular formula C32H12BF16Na and a molecular weight of 734.22 g/mol. Its IUPAC name is sodium tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide.

Molecular Properties

Compound Namesodium tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide
PubChem CID142744683
Molecular FormulaC32H12BF16Na
Molecular Weight734.22 g/mol
Exact Mass734.07
IUPAC Namesodium tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide
SMILESC=Cc1c(F)c(F)c([B-](c2c(F)c(F)c(C=C)c(F)c2F)(c2c(F)c(F)c(C=C)c(F)c2F)c2c(F)c(F)c(C=C)c(F)c2F)c(F)c1F.[Na+]
InChIInChI=1S/C32H12BF16.Na/c1-5-9-17(34)25(42)13(26(43)18(9)35)33(14-27(44)19(36)10(6-2)20(37)28(14)45,15-29(46)21(38)11(7-3)22(39)30(15)47)16-31(48)23(40)12(8-4)24(41)32(16)49;/h5-8H,1-4H2;/q-1;+1
InChIKeyHSXSKUFZOAHHGR-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500734.22
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

sodium;diphenyliodanium;bis(tris(4-ethenyl-2,3,5,6-tetrafluorophenyl)-(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 157128982
sodium;diphenyliodanium;bis((4-ethenyl-2,3,5,6-tetrafluorophenyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 158993376
lithium;diphenyliodanium;bis(tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide)
CID 158087081
1,2-bis(ethenyl)-3,4,5,6-tetrafluorobenzene
CID 19989308
4-ethenyl-2,3,5,6-tetrafluorobenzaldehyde
CID 163463323
ruthenium(2+);bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 140502353
dilithium;pentakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 173034604
magnesium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;chloride
CID 175877855
Lithiumtetrakis(pentafluorophenyl)boric acid
CID 86750431
ethylphosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 87610045
1-ethenyl-2,3,5,6-tetrafluoro-4-methoxybenzene
CID 71669119
tetrabutylazanium;bis(tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide);2,4,6-triphenylpyrylium
CID 159290597

Frequently Asked Questions

What is the IUPAC name of sodium tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide?
The IUPAC name of sodium tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide (CID 142744683) is sodium tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide.
What is the SMILES notation for sodium tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide?
The canonical SMILES for sodium tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide is C=Cc1c(F)c(F)c([B-](c2c(F)c(F)c(C=C)c(F)c2F)(c2c(F)c(F)c(C=C)c(F)c2F)c2c(F)c(F)c(C=C)c(F)c2F)c(F)c1F.[Na+].
What is the InChIKey of sodium tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide?
The InChIKey is HSXSKUFZOAHHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H12BF16.Na/c1-5-9-17(34)25(42)13(26(43)18(9)35)33(14-27(44)19(36)10(6-2)20(37)28(14)45,15-29(46)21(38)11(7-3)22(39)30(15)47)16-31(48)23(40)12(8-4)24(41)32(16)49;/h5-8H,1-4H2;/q-1;+1.
What are the key properties of sodium tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide?
sodium tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide has a molecular weight of 734.22 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide is sourced from PubChem (CID 142744683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).