dibutoxy(fluoro)borane

C8H18BFO2 — CID 14513498

IUPACdibutoxy(fluoro)borane
SMILESCCCCOB(F)OCCCC
InChIInChI=1S/C8H18BFO2/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3
InChIKeyXRLLJHBIZJRWCD-UHFFFAOYSA-N
MW176.04 g/mol
LogP2.57
Rot. Bonds8

About dibutoxy(fluoro)borane

dibutoxy(fluoro)borane (PubChem CID 14513498) has the molecular formula C8H18BFO2 and a molecular weight of 176.04 g/mol. Its IUPAC name is dibutoxy(fluoro)borane.

Molecular Properties

Compound Namedibutoxy(fluoro)borane
PubChem CID14513498
Molecular FormulaC8H18BFO2
Molecular Weight176.04 g/mol
Exact Mass176.14
IUPAC Namedibutoxy(fluoro)borane
SMILESCCCCOB(F)OCCCC
InChIInChI=1S/C8H18BFO2/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3
InChIKeyXRLLJHBIZJRWCD-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.04
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dibutoxy(fluoro)borane?
The IUPAC name of dibutoxy(fluoro)borane (CID 14513498) is dibutoxy(fluoro)borane.
What is the SMILES notation for dibutoxy(fluoro)borane?
The canonical SMILES for dibutoxy(fluoro)borane is CCCCOB(F)OCCCC.
What is the InChIKey of dibutoxy(fluoro)borane?
The InChIKey is XRLLJHBIZJRWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BFO2/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3.
What are the key properties of dibutoxy(fluoro)borane?
dibutoxy(fluoro)borane has a molecular weight of 176.04 g/mol, XLogP of 2.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy(fluoro)borane is sourced from PubChem (CID 14513498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).