[(Z)-2-cyclopropyl-1-(2,3,4,5,6-pentafluorophenyl)ethenyl]-bis(2,3,4,5,6-pentafluorophenyl)boranuide

C23H7BF15- — CID 139106173

IUPAC[(Z)-2-cyclopropyl-1-(2,3,4,5,6-pentafluorophenyl)ethenyl]-bis(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESFc1c(F)c(F)c([BH-](/C(=C/C2CC2)c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C23H7BF15/c25-9-6(10(26)16(32)21(37)15(9)31)5(3-4-1-2-4)24(7-11(27)17(33)22(38)18(34)12(7)28)8-13(29)19(35)23(39)20(36)14(8)30/h3-4,24H,1-2H2/q-1/b5-3+
InChIKeyPPMOQFFJJLSTQV-HWKANZROSA-N
MW579.09 g/mol
LogP6.15
Rot. Bonds5

About [(Z)-2-cyclopropyl-1-(2,3,4,5,6-pentafluorophenyl)ethenyl]-bis(2,3,4,5,6-pentafluorophenyl)boranuide

[(Z)-2-cyclopropyl-1-(2,3,4,5,6-pentafluorophenyl)ethenyl]-bis(2,3,4,5,6-pentafluorophenyl)boranuide (PubChem CID 139106173) has the molecular formula C23H7BF15- and a molecular weight of 579.09 g/mol. Its IUPAC name is [(Z)-2-cyclopropyl-1-(2,3,4,5,6-pentafluorophenyl)ethenyl]-bis(2,3,4,5,6-pentafluorophenyl)boranuide.

Molecular Properties

Compound Name[(Z)-2-cyclopropyl-1-(2,3,4,5,6-pentafluorophenyl)ethenyl]-bis(2,3,4,5,6-pentafluorophenyl)boranuide
PubChem CID139106173
Molecular FormulaC23H7BF15-
Molecular Weight579.09 g/mol
Exact Mass579.04
IUPAC Name[(Z)-2-cyclopropyl-1-(2,3,4,5,6-pentafluorophenyl)ethenyl]-bis(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESFc1c(F)c(F)c([BH-](/C(=C/C2CC2)c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C23H7BF15/c25-9-6(10(26)16(32)21(37)15(9)31)5(3-4-1-2-4)24(7-11(27)17(33)22(38)18(34)12(7)28)8-13(29)19(35)23(39)20(36)14(8)30/h3-4,24H,1-2H2/q-1/b5-3+
InChIKeyPPMOQFFJJLSTQV-HWKANZROSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.09
LogP ≤ 56.15
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 [(Z)-2-cyclopropyl-1-(2,3,4,5,6-pentafluorophenyl)ethenyl]-bis(2,3,4,5,6-pentafluorophenyl)boranuide?
The IUPAC name of [(Z)-2-cyclopropyl-1-(2,3,4,5,6-pentafluorophenyl)ethenyl]-bis(2,3,4,5,6-pentafluorophenyl)boranuide (CID 139106173) is [(Z)-2-cyclopropyl-1-(2,3,4,5,6-pentafluorophenyl)ethenyl]-bis(2,3,4,5,6-pentafluorophenyl)boranuide.
What is the SMILES notation for [(Z)-2-cyclopropyl-1-(2,3,4,5,6-pentafluorophenyl)ethenyl]-bis(2,3,4,5,6-pentafluorophenyl)boranuide?
The canonical SMILES for [(Z)-2-cyclopropyl-1-(2,3,4,5,6-pentafluorophenyl)ethenyl]-bis(2,3,4,5,6-pentafluorophenyl)boranuide is Fc1c(F)c(F)c([BH-](/C(=C/C2CC2)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 [(Z)-2-cyclopropyl-1-(2,3,4,5,6-pentafluorophenyl)ethenyl]-bis(2,3,4,5,6-pentafluorophenyl)boranuide?
The InChIKey is PPMOQFFJJLSTQV-HWKANZROSA-N. The full InChI is InChI=1S/C23H7BF15/c25-9-6(10(26)16(32)21(37)15(9)31)5(3-4-1-2-4)24(7-11(27)17(33)22(38)18(34)12(7)28)8-13(29)19(35)23(39)20(36)14(8)30/h3-4,24H,1-2H2/q-1/b5-3+.
What are the key properties of [(Z)-2-cyclopropyl-1-(2,3,4,5,6-pentafluorophenyl)ethenyl]-bis(2,3,4,5,6-pentafluorophenyl)boranuide?
[(Z)-2-cyclopropyl-1-(2,3,4,5,6-pentafluorophenyl)ethenyl]-bis(2,3,4,5,6-pentafluorophenyl)boranuide has a molecular weight of 579.09 g/mol, XLogP of 6.15, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-cyclopropyl-1-(2,3,4,5,6-pentafluorophenyl)ethenyl]-bis(2,3,4,5,6-pentafluorophenyl)boranuide is sourced from PubChem (CID 139106173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).