ethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide

C56H11BF39N — CID 22637572

IUPACethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide
SMILESCC[NH2+]C(F)(F)C(F)(F)F.Fc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1cc2c([B-](c3c(F)c(F)c(F)c4c(F)c(F)c(F)cc34)(c3c(F)c(F)c(F)c4c(F)c(F)c(F)cc34)c3c(F)c(F)c(F)c4c(F)c(F)c(F)cc34)c(F)c(F)c(F)c2c(F)c1F
InChIInChI=1S/C40H4BF24.C12F10.C4H6F5N/c42-9-1-5-13(25(50)21(9)46)29(54)37(62)33(58)17(5)41(18-6-2-10(43)22(47)26(51)14(6)30(55)38(63)34(18)59,19-7-3-11(44)23(48)27(52)15(7)31(56)39(64)35(19)60)20-8-4-12(45)24(49)28(53)16(8)32(57)40(65)36(20)61;13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16;1-2-10-4(8,9)3(5,6)7/h1-4H;;10H,2H2,1H3/q-1;;/p+1
InChIKeyOCFSAZAQJIDHIV-UHFFFAOYSA-O
MW1449.44 g/mol
LogP16.48
Rot. Bonds7

About ethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide

ethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide (PubChem CID 22637572) has the molecular formula C56H11BF39N and a molecular weight of 1449.44 g/mol. Its IUPAC name is ethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide.

Molecular Properties

Compound Nameethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide
PubChem CID22637572
Molecular FormulaC56H11BF39N
Molecular Weight1449.44 g/mol
Exact Mass1449.04
IUPAC Nameethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide
SMILESCC[NH2+]C(F)(F)C(F)(F)F.Fc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1cc2c([B-](c3c(F)c(F)c(F)c4c(F)c(F)c(F)cc34)(c3c(F)c(F)c(F)c4c(F)c(F)c(F)cc34)c3c(F)c(F)c(F)c4c(F)c(F)c(F)cc34)c(F)c(F)c(F)c2c(F)c1F
InChIInChI=1S/C40H4BF24.C12F10.C4H6F5N/c42-9-1-5-13(25(50)21(9)46)29(54)37(62)33(58)17(5)41(18-6-2-10(43)22(47)26(51)14(6)30(55)38(63)34(18)59,19-7-3-11(44)23(48)27(52)15(7)31(56)39(64)35(19)60)20-8-4-12(45)24(49)28(53)16(8)32(57)40(65)36(20)61;13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16;1-2-10-4(8,9)3(5,6)7/h1-4H;;10H,2H2,1H3/q-1;;/p+1
InChIKeyOCFSAZAQJIDHIV-UHFFFAOYSA-O
XLogP16.48
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001449.44
LogP ≤ 516.48
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide?
The IUPAC name of ethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide (CID 22637572) is ethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide.
What is the SMILES notation for ethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide?
The canonical SMILES for ethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide is CC[NH2+]C(F)(F)C(F)(F)F.Fc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1cc2c([B-](c3c(F)c(F)c(F)c4c(F)c(F)c(F)cc34)(c3c(F)c(F)c(F)c4c(F)c(F)c(F)cc34)c3c(F)c(F)c(F)c4c(F)c(F)c(F)cc34)c(F)c(F)c(F)c2c(F)c1F.
What is the InChIKey of ethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide?
The InChIKey is OCFSAZAQJIDHIV-UHFFFAOYSA-O. The full InChI is InChI=1S/C40H4BF24.C12F10.C4H6F5N/c42-9-1-5-13(25(50)21(9)46)29(54)37(62)33(58)17(5)41(18-6-2-10(43)22(47)26(51)14(6)30(55)38(63)34(18)59,19-7-3-11(44)23(48)27(52)15(7)31(56)39(64)35(19)60)20-8-4-12(45)24(49)28(53)16(8)32(57)40(65)36(20)61;13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16;1-2-10-4(8,9)3(5,6)7/h1-4H;;10H,2H2,1H3/q-1;;/p+1.
What are the key properties of ethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide?
ethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide has a molecular weight of 1449.44 g/mol, XLogP of 16.48, 7 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(1,1,2,2,2-pentafluoroethyl)azanium;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide is sourced from PubChem (CID 22637572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).