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

C18HBF15O- — CID 5246620

IUPAChydroxy-tris(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESO[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/C18HBF15O/c20-4-1(5(21)11(27)16(32)10(4)26)19(35,2-6(22)12(28)17(33)13(29)7(2)23)3-8(24)14(30)18(34)15(31)9(3)25/h35H/q-1
InChIKeyWNGLVDXAGJCCKH-UHFFFAOYSA-N
MW528.99 g/mol
LogP3.73
Rot. Bonds3

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

hydroxy-tris(2,3,4,5,6-pentafluorophenyl)boranuide (PubChem CID 5246620) has the molecular formula C18HBF15O- and a molecular weight of 528.99 g/mol. Its IUPAC name is hydroxy-tris(2,3,4,5,6-pentafluorophenyl)boranuide.

Molecular Properties

Compound Namehydroxy-tris(2,3,4,5,6-pentafluorophenyl)boranuide
PubChem CID5246620
Molecular FormulaC18HBF15O-
Molecular Weight528.99 g/mol
Exact Mass528.99
IUPAC Namehydroxy-tris(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESO[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/C18HBF15O/c20-4-1(5(21)11(27)16(32)10(4)26)19(35,2-6(22)12(28)17(33)13(29)7(2)23)3-8(24)14(30)18(34)15(31)9(3)25/h35H/q-1
InChIKeyWNGLVDXAGJCCKH-UHFFFAOYSA-N
XLogP3.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.99
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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
Lithiumtetrakis(pentafluorophenyl)boric acid
CID 86750431
sodium difluoro-bis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 87367197
dichloro-bis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139101899
magnesium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;chloride
CID 175877855
carbanylium;fluoromethane;trimethyl-(2,3,4,5,6-pentafluorophenyl)boranuide
CID 161118161
palladium(2+);tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;acetate
CID 175989138
oxolan-1-ium-1-yl-tris(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139103066
(dimethylazaniumyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide
CID 5251562
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

Frequently Asked Questions

What is the IUPAC name of hydroxy-tris(2,3,4,5,6-pentafluorophenyl)boranuide?
The IUPAC name of hydroxy-tris(2,3,4,5,6-pentafluorophenyl)boranuide (CID 5246620) is hydroxy-tris(2,3,4,5,6-pentafluorophenyl)boranuide.
What is the SMILES notation for hydroxy-tris(2,3,4,5,6-pentafluorophenyl)boranuide?
The canonical SMILES for hydroxy-tris(2,3,4,5,6-pentafluorophenyl)boranuide is O[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 hydroxy-tris(2,3,4,5,6-pentafluorophenyl)boranuide?
The InChIKey is WNGLVDXAGJCCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18HBF15O/c20-4-1(5(21)11(27)16(32)10(4)26)19(35,2-6(22)12(28)17(33)13(29)7(2)23)3-8(24)14(30)18(34)15(31)9(3)25/h35H/q-1.
What are the key properties of hydroxy-tris(2,3,4,5,6-pentafluorophenyl)boranuide?
hydroxy-tris(2,3,4,5,6-pentafluorophenyl)boranuide has a molecular weight of 528.99 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-tris(2,3,4,5,6-pentafluorophenyl)boranuide is sourced from PubChem (CID 5246620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).