bis(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide

C32BF24- — CID 87467756

IUPACbis(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESFc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c3c(F)c(F)c(F)c(F)c23)c2c(F)c(F)c(F)c3c(F)c(F)c(F)c(F)c23)c(F)c1F
InChIInChI=1S/C32BF24/c34-9-1-3(13(38)25(50)23(9)48)11(36)21(46)15(40)5(1)33(7-17(42)27(52)31(56)28(53)18(7)43,8-19(44)29(54)32(57)30(55)20(8)45)6-2-4(12(37)22(47)16(6)41)14(39)26(51)24(49)10(2)35/q-1
InChIKeyRESRKGMKVIMHAH-UHFFFAOYSA-N
MW851.12 g/mol
LogP8.71
Rot. Bonds4

About bis(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide

bis(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide (PubChem CID 87467756) has the molecular formula C32BF24- and a molecular weight of 851.12 g/mol. Its IUPAC name is bis(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide.

Molecular Properties

Compound Namebis(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide
PubChem CID87467756
Molecular FormulaC32BF24-
Molecular Weight851.12 g/mol
Exact Mass850.97
IUPAC Namebis(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESFc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c3c(F)c(F)c(F)c(F)c23)c2c(F)c(F)c(F)c3c(F)c(F)c(F)c(F)c23)c(F)c1F
InChIInChI=1S/C32BF24/c34-9-1-3(13(38)25(50)23(9)48)11(36)21(46)15(40)5(1)33(7-17(42)27(52)31(56)28(53)18(7)43,8-19(44)29(54)32(57)30(55)20(8)45)6-2-4(12(37)22(47)16(6)41)14(39)26(51)24(49)10(2)35/q-1
InChIKeyRESRKGMKVIMHAH-UHFFFAOYSA-N
XLogP8.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.12
LogP ≤ 58.71
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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Frequently Asked Questions

What is the IUPAC name of bis(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide?
The IUPAC name of bis(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide (CID 87467756) is bis(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide.
What is the SMILES notation for bis(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide?
The canonical SMILES for bis(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide is Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c3c(F)c(F)c(F)c(F)c23)c2c(F)c(F)c(F)c3c(F)c(F)c(F)c(F)c23)c(F)c1F.
What is the InChIKey of bis(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide?
The InChIKey is RESRKGMKVIMHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32BF24/c34-9-1-3(13(38)25(50)23(9)48)11(36)21(46)15(40)5(1)33(7-17(42)27(52)31(56)28(53)18(7)43,8-19(44)29(54)32(57)30(55)20(8)45)6-2-4(12(37)22(47)16(6)41)14(39)26(51)24(49)10(2)35/q-1.
What are the key properties of bis(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide?
bis(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide has a molecular weight of 851.12 g/mol, XLogP of 8.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide is sourced from PubChem (CID 87467756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).