bis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide

C26H5BF19- — CID 158705249

IUPACbis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide
SMILESCc1c(F)c(F)c([B-](Cc2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C26H5BF19/c1-3-8(28)12(32)5(13(33)9(3)29)27(6-14(34)20(40)25(45)21(41)15(6)35,7-16(36)22(42)26(46)23(43)17(7)37)2-4-10(30)18(38)24(44)19(39)11(4)31/h2H2,1H3/q-1
InChIKeyUNZQQAWGZPOASE-UHFFFAOYSA-N
MW689.10 g/mol
LogP6.89
Rot. Bonds5

About bis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide

bis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide (PubChem CID 158705249) has the molecular formula C26H5BF19- and a molecular weight of 689.10 g/mol. Its IUPAC name is bis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide.

Molecular Properties

Compound Namebis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide
PubChem CID158705249
Molecular FormulaC26H5BF19-
Molecular Weight689.10 g/mol
Exact Mass689.02
IUPAC Namebis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide
SMILESCc1c(F)c(F)c([B-](Cc2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C26H5BF19/c1-3-8(28)12(32)5(13(33)9(3)29)27(6-14(34)20(40)25(45)21(41)15(6)35,7-16(36)22(42)26(46)23(43)17(7)37)2-4-10(30)18(38)24(44)19(39)11(4)31/h2H2,1H3/q-1
InChIKeyUNZQQAWGZPOASE-UHFFFAOYSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.10
LogP ≤ 56.89
H-Bond Donors ≤ 50
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

1,2,4,5-tetrafluoro-3,6-dimethylbenzene
CID 160870042
1,2,4,5-tetrafluoro-3-(fluoromethyl)-6-methylbenzene
CID 14423018
(2,3,5,6-tetrafluoro-4-methylphenyl)methanamine
CID 11183147
1,2,3,4,5,6,8-heptafluoro-7-methylnaphthalene
CID 3905536
1-ethyl-2,3,4,5,6-pentafluorobenzene;1,2,4,5-tetrafluoro-3-methylbenzene
CID 144965561
ethane;formaldehyde;1,2,3,4,5-pentafluoro-6-methylbenzene
CID 142404647
bis(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)-(2,3,4,6-tetrafluorophenyl)boranuide
CID 162205470
1-chloro-2-ethyl-3,5,6-trifluoro-4-methylbenzene
CID 166765212
tris(propan-1-ol);(2,3,5,6-tetrafluoro-4-methylphenyl)methanol;zirconium
CID 87558789
(4-dimethylalumanyloxyphenyl)methyl-tris(2,3,4,5,6-pentafluorophenyl)boranuide
CID 87250875
1-(2,2-dimethylpropylsulfanylmethyl)-2,3,5,6-tetrafluoro-4-methylbenzene
CID 158109063
1,2,3,4,5,6,8-heptafluoro-7-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]naphthalene
CID 121274455

Frequently Asked Questions

What is the IUPAC name of bis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide?
The IUPAC name of bis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide (CID 158705249) is bis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide.
What is the SMILES notation for bis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide?
The canonical SMILES for bis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide is Cc1c(F)c(F)c([B-](Cc2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of bis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide?
The InChIKey is UNZQQAWGZPOASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H5BF19/c1-3-8(28)12(32)5(13(33)9(3)29)27(6-14(34)20(40)25(45)21(41)15(6)35,7-16(36)22(42)26(46)23(43)17(7)37)2-4-10(30)18(38)24(44)19(39)11(4)31/h2H2,1H3/q-1.
What are the key properties of bis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide?
bis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide has a molecular weight of 689.10 g/mol, XLogP of 6.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide is sourced from PubChem (CID 158705249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).