(2,2-dimethylpyrrolidin-1-yl)oxy-fluoroborinic acid

C6H13BFNO2 — CID 67299811

IUPAC(2,2-dimethylpyrrolidin-1-yl)oxy-fluoroborinic acid
SMILESCC1(C)CCCN1OB(O)F
InChIInChI=1S/C6H13BFNO2/c1-6(2)4-3-5-9(6)11-7(8)10/h10H,3-5H2,1-2H3
InChIKeyBEGZTGZBZQRVAM-UHFFFAOYSA-N
MW160.99 g/mol
LogP0.74
Rot. Bonds2

About (2,2-dimethylpyrrolidin-1-yl)oxy-fluoroborinic acid

(2,2-dimethylpyrrolidin-1-yl)oxy-fluoroborinic acid (PubChem CID 67299811) has the molecular formula C6H13BFNO2 and a molecular weight of 160.99 g/mol. Its IUPAC name is (2,2-dimethylpyrrolidin-1-yl)oxy-fluoroborinic acid.

Molecular Properties

Compound Name(2,2-dimethylpyrrolidin-1-yl)oxy-fluoroborinic acid
PubChem CID67299811
Molecular FormulaC6H13BFNO2
Molecular Weight160.99 g/mol
Exact Mass161.10
IUPAC Name(2,2-dimethylpyrrolidin-1-yl)oxy-fluoroborinic acid
SMILESCC1(C)CCCN1OB(O)F
InChIInChI=1S/C6H13BFNO2/c1-6(2)4-3-5-9(6)11-7(8)10/h10H,3-5H2,1-2H3
InChIKeyBEGZTGZBZQRVAM-UHFFFAOYSA-N
XLogP0.74
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.99
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpyrrolidin-1-yl)oxy-fluoroborinic acid?
The IUPAC name of (2,2-dimethylpyrrolidin-1-yl)oxy-fluoroborinic acid (CID 67299811) is (2,2-dimethylpyrrolidin-1-yl)oxy-fluoroborinic acid.
What is the SMILES notation for (2,2-dimethylpyrrolidin-1-yl)oxy-fluoroborinic acid?
The canonical SMILES for (2,2-dimethylpyrrolidin-1-yl)oxy-fluoroborinic acid is CC1(C)CCCN1OB(O)F.
What is the InChIKey of (2,2-dimethylpyrrolidin-1-yl)oxy-fluoroborinic acid?
The InChIKey is BEGZTGZBZQRVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BFNO2/c1-6(2)4-3-5-9(6)11-7(8)10/h10H,3-5H2,1-2H3.
What are the key properties of (2,2-dimethylpyrrolidin-1-yl)oxy-fluoroborinic acid?
(2,2-dimethylpyrrolidin-1-yl)oxy-fluoroborinic acid has a molecular weight of 160.99 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpyrrolidin-1-yl)oxy-fluoroborinic acid is sourced from PubChem (CID 67299811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).