bis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethyl)phenyl]-[2,3,5-trifluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide

C32H3BF27- — CID 174149178

IUPACbis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethyl)phenyl]-[2,3,5-trifluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide
SMILESFC(F)=C(F)c1c(F)cc([B-](c2c(F)c(F)c(C(F)=C(F)F)c(F)c2F)(c2c(F)c(F)c(C(F)=C(F)F)c(F)c2F)c2c(F)c(F)c(C(F)C(F)F)c(F)c2F)c(F)c1F
InChIInChI=1S/C32H3BF27/c34-3-1-2(11(35)12(36)4(3)19(43)29(53)54)33(8-23(47)13(37)5(14(38)24(8)48)20(44)30(55)56,9-25(49)15(39)6(16(40)26(9)50)21(45)31(57)58)10-27(51)17(41)7(18(42)28(10)52)22(46)32(59)60/h1,20,30H/q-1
InChIKeyJIXRJAKAPDXODT-UHFFFAOYSA-N
MW911.13 g/mol
LogP11.03
Rot. Bonds9

About bis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethyl)phenyl]-[2,3,5-trifluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide

bis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethyl)phenyl]-[2,3,5-trifluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide (PubChem CID 174149178) has the molecular formula C32H3BF27- and a molecular weight of 911.13 g/mol. Its IUPAC name is bis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethyl)phenyl]-[2,3,5-trifluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide.

Molecular Properties

Compound Namebis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethyl)phenyl]-[2,3,5-trifluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide
PubChem CID174149178
Molecular FormulaC32H3BF27-
Molecular Weight911.13 g/mol
Exact Mass910.99
IUPAC Namebis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethyl)phenyl]-[2,3,5-trifluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide
SMILESFC(F)=C(F)c1c(F)cc([B-](c2c(F)c(F)c(C(F)=C(F)F)c(F)c2F)(c2c(F)c(F)c(C(F)=C(F)F)c(F)c2F)c2c(F)c(F)c(C(F)C(F)F)c(F)c2F)c(F)c1F
InChIInChI=1S/C32H3BF27/c34-3-1-2(11(35)12(36)4(3)19(43)29(53)54)33(8-23(47)13(37)5(14(38)24(8)48)20(44)30(55)56,9-25(49)15(39)6(16(40)26(9)50)21(45)31(57)58)10-27(51)17(41)7(18(42)28(10)52)22(46)32(59)60/h1,20,30H/q-1
InChIKeyJIXRJAKAPDXODT-UHFFFAOYSA-N
XLogP11.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.13
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze bis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethyl)phenyl]-[2,3,5-trifluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethyl)phenyl]-[2,3,5-trifluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide?
The IUPAC name of bis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethyl)phenyl]-[2,3,5-trifluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide (CID 174149178) is bis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethyl)phenyl]-[2,3,5-trifluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide.
What is the SMILES notation for bis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethyl)phenyl]-[2,3,5-trifluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide?
The canonical SMILES for bis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethyl)phenyl]-[2,3,5-trifluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide is FC(F)=C(F)c1c(F)cc([B-](c2c(F)c(F)c(C(F)=C(F)F)c(F)c2F)(c2c(F)c(F)c(C(F)=C(F)F)c(F)c2F)c2c(F)c(F)c(C(F)C(F)F)c(F)c2F)c(F)c1F.
What is the InChIKey of bis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethyl)phenyl]-[2,3,5-trifluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide?
The InChIKey is JIXRJAKAPDXODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H3BF27/c34-3-1-2(11(35)12(36)4(3)19(43)29(53)54)33(8-23(47)13(37)5(14(38)24(8)48)20(44)30(55)56,9-25(49)15(39)6(16(40)26(9)50)21(45)31(57)58)10-27(51)17(41)7(18(42)28(10)52)22(46)32(59)60/h1,20,30H/q-1.
What are the key properties of bis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethyl)phenyl]-[2,3,5-trifluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide?
bis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethyl)phenyl]-[2,3,5-trifluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide has a molecular weight of 911.13 g/mol, XLogP of 11.03, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethyl)phenyl]-[2,3,5-trifluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide is sourced from PubChem (CID 174149178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).