methyl-bis(2,3,4,5,6-pentafluorophenyl)borane

C13H3BF10 — CID 11115716

IUPACmethyl-bis(2,3,4,5,6-pentafluorophenyl)borane
SMILESCB(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H3BF10/c1-14(2-4(15)8(19)12(23)9(20)5(2)16)3-6(17)10(21)13(24)11(22)7(3)18/h1H3
InChIKeyYQBCCUZMESBDAG-UHFFFAOYSA-N
MW359.96 g/mol
LogP3.32
Rot. Bonds2

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

methyl-bis(2,3,4,5,6-pentafluorophenyl)borane (PubChem CID 11115716) has the molecular formula C13H3BF10 and a molecular weight of 359.96 g/mol. Its IUPAC name is methyl-bis(2,3,4,5,6-pentafluorophenyl)borane.

Molecular Properties

Compound Namemethyl-bis(2,3,4,5,6-pentafluorophenyl)borane
PubChem CID11115716
Molecular FormulaC13H3BF10
Molecular Weight359.96 g/mol
Exact Mass360.02
IUPAC Namemethyl-bis(2,3,4,5,6-pentafluorophenyl)borane
SMILESCB(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H3BF10/c1-14(2-4(15)8(19)12(23)9(20)5(2)16)3-6(17)10(21)13(24)11(22)7(3)18/h1H3
InChIKeyYQBCCUZMESBDAG-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.96
LogP ≤ 53.32
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 methyl-bis(2,3,4,5,6-pentafluorophenyl)borane?
The IUPAC name of methyl-bis(2,3,4,5,6-pentafluorophenyl)borane (CID 11115716) is methyl-bis(2,3,4,5,6-pentafluorophenyl)borane.
What is the SMILES notation for methyl-bis(2,3,4,5,6-pentafluorophenyl)borane?
The canonical SMILES for methyl-bis(2,3,4,5,6-pentafluorophenyl)borane is CB(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)borane?
The InChIKey is YQBCCUZMESBDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H3BF10/c1-14(2-4(15)8(19)12(23)9(20)5(2)16)3-6(17)10(21)13(24)11(22)7(3)18/h1H3.
What are the key properties of methyl-bis(2,3,4,5,6-pentafluorophenyl)borane?
methyl-bis(2,3,4,5,6-pentafluorophenyl)borane has a molecular weight of 359.96 g/mol, XLogP of 3.32, 2 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)borane is sourced from PubChem (CID 11115716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).