1,1,2,2,3,3-hexafluorononyl(propyl)azanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(2,3,4,5,6-pentafluoronaphthalen-1-yl)boranuide

C64H34BF32N — CID 18388736

IUPAC1,1,2,2,3,3-hexafluorononyl(propyl)azanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(2,3,4,5,6-pentafluoronaphthalen-1-yl)boranuide
SMILESCCCCCCC(F)(F)C(F)(F)C(F)(F)[NH2+]CCC.Fc1ccc2c([B-](c3c(F)c(F)c(F)c4c(F)c(F)ccc34)(c3c(F)c(F)c(F)c4c(F)c(F)ccc34)c3c(F)c(F)c(F)c4c(F)c(F)ccc34)c(F)c(F)c(F)c2c1F.Fc1ccccc1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C40H8BF20.C12H21F6N.C12H4F6/c42-13-5-1-9-17(25(13)46)29(50)37(58)33(54)21(9)41(22-10-2-6-14(43)26(47)18(10)30(51)38(59)34(22)55,23-11-3-7-15(44)27(48)19(11)31(52)39(60)35(23)56)24-12-4-8-16(45)28(49)20(12)32(53)40(61)36(24)57;1-3-5-6-7-8-10(13,14)11(15,16)12(17,18)19-9-4-2;13-6-4-2-1-3-5(6)7-8(14)10(16)12(18)11(17)9(7)15/h1-8H;19H,3-9H2,1-2H3;1-4H/q-1;;/p+1
InChIKeyKWNPUOMYPAMKFD-UHFFFAOYSA-O
MW1435.73 g/mol
LogP18.44
Rot. Bonds15

About 1,1,2,2,3,3-hexafluorononyl(propyl)azanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(2,3,4,5,6-pentafluoronaphthalen-1-yl)boranuide

1,1,2,2,3,3-hexafluorononyl(propyl)azanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(2,3,4,5,6-pentafluoronaphthalen-1-yl)boranuide (PubChem CID 18388736) has the molecular formula C64H34BF32N and a molecular weight of 1435.73 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluorononyl(propyl)azanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(2,3,4,5,6-pentafluoronaphthalen-1-yl)boranuide.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluorononyl(propyl)azanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(2,3,4,5,6-pentafluoronaphthalen-1-yl)boranuide
PubChem CID18388736
Molecular FormulaC64H34BF32N
Molecular Weight1435.73 g/mol
Exact Mass1435.23
IUPAC Name1,1,2,2,3,3-hexafluorononyl(propyl)azanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(2,3,4,5,6-pentafluoronaphthalen-1-yl)boranuide
SMILESCCCCCCC(F)(F)C(F)(F)C(F)(F)[NH2+]CCC.Fc1ccc2c([B-](c3c(F)c(F)c(F)c4c(F)c(F)ccc34)(c3c(F)c(F)c(F)c4c(F)c(F)ccc34)c3c(F)c(F)c(F)c4c(F)c(F)ccc34)c(F)c(F)c(F)c2c1F.Fc1ccccc1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C40H8BF20.C12H21F6N.C12H4F6/c42-13-5-1-9-17(25(13)46)29(50)37(58)33(54)21(9)41(22-10-2-6-14(43)26(47)18(10)30(51)38(59)34(22)55,23-11-3-7-15(44)27(48)19(11)31(52)39(60)35(23)56)24-12-4-8-16(45)28(49)20(12)32(53)40(61)36(24)57;1-3-5-6-7-8-10(13,14)11(15,16)12(17,18)19-9-4-2;13-6-4-2-1-3-5(6)7-8(14)10(16)12(18)11(17)9(7)15/h1-8H;19H,3-9H2,1-2H3;1-4H/q-1;;/p+1
InChIKeyKWNPUOMYPAMKFD-UHFFFAOYSA-O
XLogP18.44
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001435.73
LogP ≤ 518.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluorononyl(propyl)azanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(2,3,4,5,6-pentafluoronaphthalen-1-yl)boranuide?
The IUPAC name of 1,1,2,2,3,3-hexafluorononyl(propyl)azanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(2,3,4,5,6-pentafluoronaphthalen-1-yl)boranuide (CID 18388736) is 1,1,2,2,3,3-hexafluorononyl(propyl)azanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(2,3,4,5,6-pentafluoronaphthalen-1-yl)boranuide.
What is the SMILES notation for 1,1,2,2,3,3-hexafluorononyl(propyl)azanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(2,3,4,5,6-pentafluoronaphthalen-1-yl)boranuide?
The canonical SMILES for 1,1,2,2,3,3-hexafluorononyl(propyl)azanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(2,3,4,5,6-pentafluoronaphthalen-1-yl)boranuide is CCCCCCC(F)(F)C(F)(F)C(F)(F)[NH2+]CCC.Fc1ccc2c([B-](c3c(F)c(F)c(F)c4c(F)c(F)ccc34)(c3c(F)c(F)c(F)c4c(F)c(F)ccc34)c3c(F)c(F)c(F)c4c(F)c(F)ccc34)c(F)c(F)c(F)c2c1F.Fc1ccccc1-c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1,1,2,2,3,3-hexafluorononyl(propyl)azanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(2,3,4,5,6-pentafluoronaphthalen-1-yl)boranuide?
The InChIKey is KWNPUOMYPAMKFD-UHFFFAOYSA-O. The full InChI is InChI=1S/C40H8BF20.C12H21F6N.C12H4F6/c42-13-5-1-9-17(25(13)46)29(50)37(58)33(54)21(9)41(22-10-2-6-14(43)26(47)18(10)30(51)38(59)34(22)55,23-11-3-7-15(44)27(48)19(11)31(52)39(60)35(23)56)24-12-4-8-16(45)28(49)20(12)32(53)40(61)36(24)57;1-3-5-6-7-8-10(13,14)11(15,16)12(17,18)19-9-4-2;13-6-4-2-1-3-5(6)7-8(14)10(16)12(18)11(17)9(7)15/h1-8H;19H,3-9H2,1-2H3;1-4H/q-1;;/p+1.
What are the key properties of 1,1,2,2,3,3-hexafluorononyl(propyl)azanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(2,3,4,5,6-pentafluoronaphthalen-1-yl)boranuide?
1,1,2,2,3,3-hexafluorononyl(propyl)azanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(2,3,4,5,6-pentafluoronaphthalen-1-yl)boranuide has a molecular weight of 1435.73 g/mol, XLogP of 18.44, 15 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluorononyl(propyl)azanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(2,3,4,5,6-pentafluoronaphthalen-1-yl)boranuide is sourced from PubChem (CID 18388736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).