methyl-bis(2,3,4,5,6-pentafluorophenyl)-[(E)-2-phenylethenyl]boranuide

C21H10BF10- — CID 101181574

IUPACmethyl-bis(2,3,4,5,6-pentafluorophenyl)-[(E)-2-phenylethenyl]boranuide
SMILESC[B-](/C=C/c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C21H10BF10/c1-22(8-7-9-5-3-2-4-6-9,10-12(23)16(27)20(31)17(28)13(10)24)11-14(25)18(29)21(32)19(30)15(11)26/h2-8H,1H3/q-1/b8-7+
InChIKeyQTZHBXQHBGWOFH-BQYQJAHWSA-N
MW463.10 g/mol
LogP5.52
Rot. Bonds4

About methyl-bis(2,3,4,5,6-pentafluorophenyl)-[(E)-2-phenylethenyl]boranuide

methyl-bis(2,3,4,5,6-pentafluorophenyl)-[(E)-2-phenylethenyl]boranuide (PubChem CID 101181574) has the molecular formula C21H10BF10- and a molecular weight of 463.10 g/mol. Its IUPAC name is methyl-bis(2,3,4,5,6-pentafluorophenyl)-[(E)-2-phenylethenyl]boranuide.

Molecular Properties

Compound Namemethyl-bis(2,3,4,5,6-pentafluorophenyl)-[(E)-2-phenylethenyl]boranuide
PubChem CID101181574
Molecular FormulaC21H10BF10-
Molecular Weight463.10 g/mol
Exact Mass463.07
IUPAC Namemethyl-bis(2,3,4,5,6-pentafluorophenyl)-[(E)-2-phenylethenyl]boranuide
SMILESC[B-](/C=C/c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C21H10BF10/c1-22(8-7-9-5-3-2-4-6-9,10-12(23)16(27)20(31)17(28)13(10)24)11-14(25)18(29)21(32)19(30)15(11)26/h2-8H,1H3/q-1/b8-7+
InChIKeyQTZHBXQHBGWOFH-BQYQJAHWSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.10
LogP ≤ 55.52
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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Related Compounds

bis(2,3,4,5,6-pentafluorophenyl)-phenyl-[(E)-2-phenylethenyl]boranuide
CID 135048705
potassium trifluoro-[(Z)-2-phenylethenyl]boranuide
CID 23671305
(2,3,4,5,6-pentafluorophenyl) 3-phenylprop-2-enoate
CID 72966102
(2,3,4,5,6-pentafluorophenyl) (E)-3-phenylprop-2-enoate
CID 11449832
lithium tris(4-fluorophenyl)-(2-phenylethenyl)boranuide
CID 131719333
sodium triphenyl(2-phenylethenyl)boranuide
CID 139607406
CID 70567885
CID 70567885
CID 70569152
CID 70569152
N,N-dimethylmethanamine;stilbene
CID 174368184
benzene;but-1-enylbenzene
CID 157481332
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602

Frequently Asked Questions

What is the IUPAC name of methyl-bis(2,3,4,5,6-pentafluorophenyl)-[(E)-2-phenylethenyl]boranuide?
The IUPAC name of methyl-bis(2,3,4,5,6-pentafluorophenyl)-[(E)-2-phenylethenyl]boranuide (CID 101181574) is methyl-bis(2,3,4,5,6-pentafluorophenyl)-[(E)-2-phenylethenyl]boranuide.
What is the SMILES notation for methyl-bis(2,3,4,5,6-pentafluorophenyl)-[(E)-2-phenylethenyl]boranuide?
The canonical SMILES for methyl-bis(2,3,4,5,6-pentafluorophenyl)-[(E)-2-phenylethenyl]boranuide is C[B-](/C=C/c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of methyl-bis(2,3,4,5,6-pentafluorophenyl)-[(E)-2-phenylethenyl]boranuide?
The InChIKey is QTZHBXQHBGWOFH-BQYQJAHWSA-N. The full InChI is InChI=1S/C21H10BF10/c1-22(8-7-9-5-3-2-4-6-9,10-12(23)16(27)20(31)17(28)13(10)24)11-14(25)18(29)21(32)19(30)15(11)26/h2-8H,1H3/q-1/b8-7+.
What are the key properties of methyl-bis(2,3,4,5,6-pentafluorophenyl)-[(E)-2-phenylethenyl]boranuide?
methyl-bis(2,3,4,5,6-pentafluorophenyl)-[(E)-2-phenylethenyl]boranuide has a molecular weight of 463.10 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-bis(2,3,4,5,6-pentafluorophenyl)-[(E)-2-phenylethenyl]boranuide is sourced from PubChem (CID 101181574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).