fluoro(ditrityloxy)borane

C38H30BFO2 — CID 66996057

IUPACfluoro(ditrityloxy)borane
SMILESFB(OC(c1ccccc1)(c1ccccc1)c1ccccc1)OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H30BFO2/c40-39(41-37(31-19-7-1-8-20-31,32-21-9-2-10-22-32)33-23-11-3-12-24-33)42-38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H
InChIKeyNGHUFWFRCUFKHE-UHFFFAOYSA-N
MW548.47 g/mol
LogP8.96
Rot. Bonds10

About fluoro(ditrityloxy)borane

fluoro(ditrityloxy)borane (PubChem CID 66996057) has the molecular formula C38H30BFO2 and a molecular weight of 548.47 g/mol. Its IUPAC name is fluoro(ditrityloxy)borane.

Molecular Properties

Compound Namefluoro(ditrityloxy)borane
PubChem CID66996057
Molecular FormulaC38H30BFO2
Molecular Weight548.47 g/mol
Exact Mass548.23
IUPAC Namefluoro(ditrityloxy)borane
SMILESFB(OC(c1ccccc1)(c1ccccc1)c1ccccc1)OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H30BFO2/c40-39(41-37(31-19-7-1-8-20-31,32-21-9-2-10-22-32)33-23-11-3-12-24-33)42-38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H
InChIKeyNGHUFWFRCUFKHE-UHFFFAOYSA-N
XLogP8.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.47
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 fluoro(ditrityloxy)borane?
The IUPAC name of fluoro(ditrityloxy)borane (CID 66996057) is fluoro(ditrityloxy)borane.
What is the SMILES notation for fluoro(ditrityloxy)borane?
The canonical SMILES for fluoro(ditrityloxy)borane is FB(OC(c1ccccc1)(c1ccccc1)c1ccccc1)OC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of fluoro(ditrityloxy)borane?
The InChIKey is NGHUFWFRCUFKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30BFO2/c40-39(41-37(31-19-7-1-8-20-31,32-21-9-2-10-22-32)33-23-11-3-12-24-33)42-38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H.
What are the key properties of fluoro(ditrityloxy)borane?
fluoro(ditrityloxy)borane has a molecular weight of 548.47 g/mol, XLogP of 8.96, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro(ditrityloxy)borane is sourced from PubChem (CID 66996057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).