(dimethylazaniumyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide

C20H7BF15N — CID 5251562

IUPAC(dimethylazaniumyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESC[NH+](C)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C20H7BF15N/c1-37(2)21(3-6(22)12(28)18(34)13(29)7(3)23,4-8(24)14(30)19(35)15(31)9(4)25)5-10(26)16(32)20(36)17(33)11(5)27/h37H,1-2H3
InChIKeyQQCOGGDNIUXEQP-UHFFFAOYSA-N
MW557.07 g/mol
LogP2.88
Rot. Bonds4

About (dimethylazaniumyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide

(dimethylazaniumyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide (PubChem CID 5251562) has the molecular formula C20H7BF15N and a molecular weight of 557.07 g/mol. Its IUPAC name is (dimethylazaniumyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide.

Molecular Properties

Compound Name(dimethylazaniumyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide
PubChem CID5251562
Molecular FormulaC20H7BF15N
Molecular Weight557.07 g/mol
Exact Mass557.04
IUPAC Name(dimethylazaniumyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESC[NH+](C)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C20H7BF15N/c1-37(2)21(3-6(22)12(28)18(34)13(29)7(3)23,4-8(24)14(30)19(35)15(31)9(4)25)5-10(26)16(32)20(36)17(33)11(5)27/h37H,1-2H3
InChIKeyQQCOGGDNIUXEQP-UHFFFAOYSA-N
XLogP2.88
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.07
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

carbanylium;fluoromethane;trimethyl-(2,3,4,5,6-pentafluorophenyl)boranuide
CID 161118161
dilithium;pentakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 173034604
ruthenium(2+);bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 140502353
tris(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-methylboranuide
CID 101101216
ethylphosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 87610045
bis(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 87467756
bis(dimethyl(phenyl)azanium);hydron;tris(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 139997769
Lithiumtetrakis(pentafluorophenyl)boric acid
CID 86750431
hydroxy-tris(2,3,4,5,6-pentafluorophenyl)boranuide
CID 5246620
sodium difluoro-bis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 87367197
magnesium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;chloride
CID 175877855
dichloro-bis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139101899

Frequently Asked Questions

What is the IUPAC name of (dimethylazaniumyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide?
The IUPAC name of (dimethylazaniumyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide (CID 5251562) is (dimethylazaniumyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide.
What is the SMILES notation for (dimethylazaniumyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide?
The canonical SMILES for (dimethylazaniumyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide is C[NH+](C)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (dimethylazaniumyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide?
The InChIKey is QQCOGGDNIUXEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H7BF15N/c1-37(2)21(3-6(22)12(28)18(34)13(29)7(3)23,4-8(24)14(30)19(35)15(31)9(4)25)5-10(26)16(32)20(36)17(33)11(5)27/h37H,1-2H3.
What are the key properties of (dimethylazaniumyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide?
(dimethylazaniumyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide has a molecular weight of 557.07 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (dimethylazaniumyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide is sourced from PubChem (CID 5251562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).