cyclopenta-1,3-dien-1-yl-bis(2,3,4,5,6-pentafluorophenyl)borane

C17H5BF10 — CID 101108535

IUPACcyclopenta-1,3-dien-1-yl-bis(2,3,4,5,6-pentafluorophenyl)borane
SMILESFc1c(F)c(F)c(B(C2=CC=CC2)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C17H5BF10/c19-8-6(9(20)13(24)16(27)12(8)23)18(5-3-1-2-4-5)7-10(21)14(25)17(28)15(26)11(7)22/h1-3H,4H2
InChIKeyCAIZVEHUVWILFV-UHFFFAOYSA-N
MW410.02 g/mol
LogP4.11
Rot. Bonds3

About cyclopenta-1,3-dien-1-yl-bis(2,3,4,5,6-pentafluorophenyl)borane

cyclopenta-1,3-dien-1-yl-bis(2,3,4,5,6-pentafluorophenyl)borane (PubChem CID 101108535) has the molecular formula C17H5BF10 and a molecular weight of 410.02 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yl-bis(2,3,4,5,6-pentafluorophenyl)borane.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yl-bis(2,3,4,5,6-pentafluorophenyl)borane
PubChem CID101108535
Molecular FormulaC17H5BF10
Molecular Weight410.02 g/mol
Exact Mass410.03
IUPAC Namecyclopenta-1,3-dien-1-yl-bis(2,3,4,5,6-pentafluorophenyl)borane
SMILESFc1c(F)c(F)c(B(C2=CC=CC2)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C17H5BF10/c19-8-6(9(20)13(24)16(27)12(8)23)18(5-3-1-2-4-5)7-10(21)14(25)17(28)15(26)11(7)22/h1-3H,4H2
InChIKeyCAIZVEHUVWILFV-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.02
LogP ≤ 54.11
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 cyclopenta-1,3-dien-1-yl-bis(2,3,4,5,6-pentafluorophenyl)borane?
The IUPAC name of cyclopenta-1,3-dien-1-yl-bis(2,3,4,5,6-pentafluorophenyl)borane (CID 101108535) is cyclopenta-1,3-dien-1-yl-bis(2,3,4,5,6-pentafluorophenyl)borane.
What is the SMILES notation for cyclopenta-1,3-dien-1-yl-bis(2,3,4,5,6-pentafluorophenyl)borane?
The canonical SMILES for cyclopenta-1,3-dien-1-yl-bis(2,3,4,5,6-pentafluorophenyl)borane is Fc1c(F)c(F)c(B(C2=CC=CC2)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of cyclopenta-1,3-dien-1-yl-bis(2,3,4,5,6-pentafluorophenyl)borane?
The InChIKey is CAIZVEHUVWILFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H5BF10/c19-8-6(9(20)13(24)16(27)12(8)23)18(5-3-1-2-4-5)7-10(21)14(25)17(28)15(26)11(7)22/h1-3H,4H2.
What are the key properties of cyclopenta-1,3-dien-1-yl-bis(2,3,4,5,6-pentafluorophenyl)borane?
cyclopenta-1,3-dien-1-yl-bis(2,3,4,5,6-pentafluorophenyl)borane has a molecular weight of 410.02 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-yl-bis(2,3,4,5,6-pentafluorophenyl)borane is sourced from PubChem (CID 101108535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).