bis(2,3,4,5,6-pentafluorophenyl)-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]borane

C24H24BF10N — CID 132575350

IUPACbis(2,3,4,5,6-pentafluorophenyl)-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]borane
SMILESCC1(C)CCCC(C)(C)N1CCCB(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C24H24BF10N/c1-23(2)7-5-8-24(3,4)36(23)10-6-9-25(11-13(26)17(30)21(34)18(31)14(11)27)12-15(28)19(32)22(35)20(33)16(12)29/h5-10H2,1-4H3
InChIKeyWVOWHFQSCCLMRJ-UHFFFAOYSA-N
MW527.26 g/mol
LogP6.12
Rot. Bonds6

About bis(2,3,4,5,6-pentafluorophenyl)-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]borane

bis(2,3,4,5,6-pentafluorophenyl)-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]borane (PubChem CID 132575350) has the molecular formula C24H24BF10N and a molecular weight of 527.26 g/mol. Its IUPAC name is bis(2,3,4,5,6-pentafluorophenyl)-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]borane.

Molecular Properties

Compound Namebis(2,3,4,5,6-pentafluorophenyl)-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]borane
PubChem CID132575350
Molecular FormulaC24H24BF10N
Molecular Weight527.26 g/mol
Exact Mass527.18
IUPAC Namebis(2,3,4,5,6-pentafluorophenyl)-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]borane
SMILESCC1(C)CCCC(C)(C)N1CCCB(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C24H24BF10N/c1-23(2)7-5-8-24(3,4)36(23)10-6-9-25(11-13(26)17(30)21(34)18(31)14(11)27)12-15(28)19(32)22(35)20(33)16(12)29/h5-10H2,1-4H3
InChIKeyWVOWHFQSCCLMRJ-UHFFFAOYSA-N
XLogP6.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.26
LogP ≤ 56.12
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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Frequently Asked Questions

What is the IUPAC name of bis(2,3,4,5,6-pentafluorophenyl)-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]borane?
The IUPAC name of bis(2,3,4,5,6-pentafluorophenyl)-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]borane (CID 132575350) is bis(2,3,4,5,6-pentafluorophenyl)-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]borane.
What is the SMILES notation for bis(2,3,4,5,6-pentafluorophenyl)-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]borane?
The canonical SMILES for bis(2,3,4,5,6-pentafluorophenyl)-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]borane is CC1(C)CCCC(C)(C)N1CCCB(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of bis(2,3,4,5,6-pentafluorophenyl)-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]borane?
The InChIKey is WVOWHFQSCCLMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BF10N/c1-23(2)7-5-8-24(3,4)36(23)10-6-9-25(11-13(26)17(30)21(34)18(31)14(11)27)12-15(28)19(32)22(35)20(33)16(12)29/h5-10H2,1-4H3.
What are the key properties of bis(2,3,4,5,6-pentafluorophenyl)-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]borane?
bis(2,3,4,5,6-pentafluorophenyl)-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]borane has a molecular weight of 527.26 g/mol, XLogP of 6.12, 6 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)-[3-(2,2,6,6-tetramethylpiperidin-1-yl)propyl]borane is sourced from PubChem (CID 132575350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).