bis(2,3,4,5,6-pentafluorophenyl)-(2-piperidin-1-ylcyclopentyl)boranuide

C22H19BF10N- — CID 102136348

IUPACbis(2,3,4,5,6-pentafluorophenyl)-(2-piperidin-1-ylcyclopentyl)boranuide
SMILESFc1c(F)c(F)c([BH-](c2c(F)c(F)c(F)c(F)c2F)C2CCCC2N2CCCCC2)c(F)c1F
InChIInChI=1S/C22H19BF10N/c24-13-11(14(25)18(29)21(32)17(13)28)23(12-15(26)19(30)22(33)20(31)16(12)27)9-5-4-6-10(9)34-7-2-1-3-8-34/h9-10,23H,1-8H2/q-1
InChIKeyZLTPIWYXJKXGIH-UHFFFAOYSA-N
MW498.19 g/mol
LogP4.83
Rot. Bonds4

About bis(2,3,4,5,6-pentafluorophenyl)-(2-piperidin-1-ylcyclopentyl)boranuide

bis(2,3,4,5,6-pentafluorophenyl)-(2-piperidin-1-ylcyclopentyl)boranuide (PubChem CID 102136348) has the molecular formula C22H19BF10N- and a molecular weight of 498.19 g/mol. Its IUPAC name is bis(2,3,4,5,6-pentafluorophenyl)-(2-piperidin-1-ylcyclopentyl)boranuide.

Molecular Properties

Compound Namebis(2,3,4,5,6-pentafluorophenyl)-(2-piperidin-1-ylcyclopentyl)boranuide
PubChem CID102136348
Molecular FormulaC22H19BF10N-
Molecular Weight498.19 g/mol
Exact Mass498.15
IUPAC Namebis(2,3,4,5,6-pentafluorophenyl)-(2-piperidin-1-ylcyclopentyl)boranuide
SMILESFc1c(F)c(F)c([BH-](c2c(F)c(F)c(F)c(F)c2F)C2CCCC2N2CCCCC2)c(F)c1F
InChIInChI=1S/C22H19BF10N/c24-13-11(14(25)18(29)21(32)17(13)28)23(12-15(26)19(30)22(33)20(31)16(12)27)9-5-4-6-10(9)34-7-2-1-3-8-34/h9-10,23H,1-8H2/q-1
InChIKeyZLTPIWYXJKXGIH-UHFFFAOYSA-N
XLogP4.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.19
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1,1-Bis(2,3,4,5,6-pentafluorophenyl)-5-azonia-1-boranuidaspiro[4.5]decane
CID 102291936
Bis(2,3,4,5,6-pentafluorophenyl)-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]borane
CID 132575350
(1R,6R)-8,8-bis(2,3,4,5,6-pentafluorophenyl)spiro[7-azonia-8-boranuidabicyclo[4.2.0]octane-7,1'-azinan-1-ium]
CID 139043117
bis(2,3,4,5,6-pentafluorophenyl)-[(1S,2S)-2-piperidin-1-ium-1-ylcyclohexyl]boranuide
CID 139043126
bis(2,3,4,5,6-pentafluorophenyl)-[(1S,2S)-2-pyrrolidin-1-ium-1-ylcyclohexyl]boranuide
CID 139043128
bis(2,3,4,5,6-pentafluorophenyl)-[(1R,2R)-2-piperidin-1-ium-1-ylcyclopentyl]boranuide
CID 139109539
bis(2,3,4,5,6-pentafluorophenyl)-[(1S)-2-piperidin-1-ium-1-ylidenecyclopentyl]boranuide
CID 139109541
tert-butylazaniumylidynemethyl-bis(2,3,4,5,6-pentafluorophenyl)-[(1S,2S)-2-piperidin-1-ylcyclopentyl]boranuide
CID 139109546
Bis(2,3,4,5,6-pentafluorophenyl)-piperidin-1-ylborane
CID 139192249
Bis(2,3,4,5,6-pentafluorophenyl)-(2-piperidin-1-ium-1-ylidenecyclopentyl)borane
CID 102136343
Bis(2,3,4,5,6-pentafluorophenyl)-(2-piperidin-1-ylcyclopentyl)borane
CID 102136345
Bis(2,3,4,5,6-pentafluorophenyl)-(2-piperidin-1-ium-1-ylcyclopentyl)boranuide
CID 102136347

Frequently Asked Questions

What is the IUPAC name of bis(2,3,4,5,6-pentafluorophenyl)-(2-piperidin-1-ylcyclopentyl)boranuide?
The IUPAC name of bis(2,3,4,5,6-pentafluorophenyl)-(2-piperidin-1-ylcyclopentyl)boranuide (CID 102136348) is bis(2,3,4,5,6-pentafluorophenyl)-(2-piperidin-1-ylcyclopentyl)boranuide.
What is the SMILES notation for bis(2,3,4,5,6-pentafluorophenyl)-(2-piperidin-1-ylcyclopentyl)boranuide?
The canonical SMILES for bis(2,3,4,5,6-pentafluorophenyl)-(2-piperidin-1-ylcyclopentyl)boranuide is Fc1c(F)c(F)c([BH-](c2c(F)c(F)c(F)c(F)c2F)C2CCCC2N2CCCCC2)c(F)c1F.
What is the InChIKey of bis(2,3,4,5,6-pentafluorophenyl)-(2-piperidin-1-ylcyclopentyl)boranuide?
The InChIKey is ZLTPIWYXJKXGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BF10N/c24-13-11(14(25)18(29)21(32)17(13)28)23(12-15(26)19(30)22(33)20(31)16(12)27)9-5-4-6-10(9)34-7-2-1-3-8-34/h9-10,23H,1-8H2/q-1.
What are the key properties of bis(2,3,4,5,6-pentafluorophenyl)-(2-piperidin-1-ylcyclopentyl)boranuide?
bis(2,3,4,5,6-pentafluorophenyl)-(2-piperidin-1-ylcyclopentyl)boranuide has a molecular weight of 498.19 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,4,5,6-pentafluorophenyl)-(2-piperidin-1-ylcyclopentyl)boranuide is sourced from PubChem (CID 102136348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).