bis(2,3,4,5,6-pentafluorophenyl)-phenylborane

C18H5BF10 — CID 11327649

IUPACbis(2,3,4,5,6-pentafluorophenyl)-phenylborane
SMILESFc1c(F)c(F)c(B(c2ccccc2)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C18H5BF10/c20-9-7(10(21)14(25)17(28)13(9)24)19(6-4-2-1-3-5-6)8-11(22)15(26)18(29)16(27)12(8)23/h1-5H
InChIKeyPCGYNXNSBCFBSU-UHFFFAOYSA-N
MW422.03 g/mol
LogP3.59
Rot. Bonds3

About bis(2,3,4,5,6-pentafluorophenyl)-phenylborane

bis(2,3,4,5,6-pentafluorophenyl)-phenylborane (PubChem CID 11327649) has the molecular formula C18H5BF10 and a molecular weight of 422.03 g/mol. Its IUPAC name is bis(2,3,4,5,6-pentafluorophenyl)-phenylborane.

Molecular Properties

Compound Namebis(2,3,4,5,6-pentafluorophenyl)-phenylborane
PubChem CID11327649
Molecular FormulaC18H5BF10
Molecular Weight422.03 g/mol
Exact Mass422.03
IUPAC Namebis(2,3,4,5,6-pentafluorophenyl)-phenylborane
SMILESFc1c(F)c(F)c(B(c2ccccc2)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C18H5BF10/c20-9-7(10(21)14(25)17(28)13(9)24)19(6-4-2-1-3-5-6)8-11(22)15(26)18(29)16(27)12(8)23/h1-5H
InChIKeyPCGYNXNSBCFBSU-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.03
LogP ≤ 53.59
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 bis(2,3,4,5,6-pentafluorophenyl)-phenylborane?
The IUPAC name of bis(2,3,4,5,6-pentafluorophenyl)-phenylborane (CID 11327649) is bis(2,3,4,5,6-pentafluorophenyl)-phenylborane.
What is the SMILES notation for bis(2,3,4,5,6-pentafluorophenyl)-phenylborane?
The canonical SMILES for bis(2,3,4,5,6-pentafluorophenyl)-phenylborane is Fc1c(F)c(F)c(B(c2ccccc2)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of bis(2,3,4,5,6-pentafluorophenyl)-phenylborane?
The InChIKey is PCGYNXNSBCFBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H5BF10/c20-9-7(10(21)14(25)17(28)13(9)24)19(6-4-2-1-3-5-6)8-11(22)15(26)18(29)16(27)12(8)23/h1-5H.
What are the key properties of bis(2,3,4,5,6-pentafluorophenyl)-phenylborane?
bis(2,3,4,5,6-pentafluorophenyl)-phenylborane has a molecular weight of 422.03 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,4,5,6-pentafluorophenyl)-phenylborane is sourced from PubChem (CID 11327649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).