dioxido-(2,3,4,5,6-pentafluorophenoxy)borane;bis(diphenylmethylbenzene)

C44H30BF5O3 — CID 87833366

IUPACdioxido-(2,3,4,5,6-pentafluorophenoxy)borane;bis(diphenylmethylbenzene)
SMILES[O-]B([O-])Oc1c(F)c(F)c(F)c(F)c1F.c1ccc([C+](c2ccccc2)c2ccccc2)cc1.c1ccc([C+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C19H15.C6BF5O3/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-1-2(9)4(11)6(15-7(13)14)5(12)3(1)10/h2*1-15H;/q2*+1;-2
InChIKeyZTAIFKMKUQTCRI-UHFFFAOYSA-N
MW712.52 g/mol
LogP8.88
Rot. Bonds8

About dioxido-(2,3,4,5,6-pentafluorophenoxy)borane;bis(diphenylmethylbenzene)

dioxido-(2,3,4,5,6-pentafluorophenoxy)borane;bis(diphenylmethylbenzene) (PubChem CID 87833366) has the molecular formula C44H30BF5O3 and a molecular weight of 712.52 g/mol. Its IUPAC name is dioxido-(2,3,4,5,6-pentafluorophenoxy)borane;bis(diphenylmethylbenzene).

Molecular Properties

Compound Namedioxido-(2,3,4,5,6-pentafluorophenoxy)borane;bis(diphenylmethylbenzene)
PubChem CID87833366
Molecular FormulaC44H30BF5O3
Molecular Weight712.52 g/mol
Exact Mass712.22
IUPAC Namedioxido-(2,3,4,5,6-pentafluorophenoxy)borane;bis(diphenylmethylbenzene)
SMILES[O-]B([O-])Oc1c(F)c(F)c(F)c(F)c1F.c1ccc([C+](c2ccccc2)c2ccccc2)cc1.c1ccc([C+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C19H15.C6BF5O3/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-1-2(9)4(11)6(15-7(13)14)5(12)3(1)10/h2*1-15H;/q2*+1;-2
InChIKeyZTAIFKMKUQTCRI-UHFFFAOYSA-N
XLogP8.88
TPSA55.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.52
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dioxido-(2,3,4,5,6-pentafluorophenoxy)borane;bis(diphenylmethylbenzene)?
The IUPAC name of dioxido-(2,3,4,5,6-pentafluorophenoxy)borane;bis(diphenylmethylbenzene) (CID 87833366) is dioxido-(2,3,4,5,6-pentafluorophenoxy)borane;bis(diphenylmethylbenzene).
What is the SMILES notation for dioxido-(2,3,4,5,6-pentafluorophenoxy)borane;bis(diphenylmethylbenzene)?
The canonical SMILES for dioxido-(2,3,4,5,6-pentafluorophenoxy)borane;bis(diphenylmethylbenzene) is [O-]B([O-])Oc1c(F)c(F)c(F)c(F)c1F.c1ccc([C+](c2ccccc2)c2ccccc2)cc1.c1ccc([C+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dioxido-(2,3,4,5,6-pentafluorophenoxy)borane;bis(diphenylmethylbenzene)?
The InChIKey is ZTAIFKMKUQTCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H15.C6BF5O3/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-1-2(9)4(11)6(15-7(13)14)5(12)3(1)10/h2*1-15H;/q2*+1;-2.
What are the key properties of dioxido-(2,3,4,5,6-pentafluorophenoxy)borane;bis(diphenylmethylbenzene)?
dioxido-(2,3,4,5,6-pentafluorophenoxy)borane;bis(diphenylmethylbenzene) has a molecular weight of 712.52 g/mol, XLogP of 8.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioxido-(2,3,4,5,6-pentafluorophenoxy)borane;bis(diphenylmethylbenzene) is sourced from PubChem (CID 87833366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).