butylazanium;oxolane;fluoride

C8H20FNO — CID 67136632

IUPACbutylazanium;oxolane;fluoride
SMILESC1CCOC1.CCCC[NH3+].[F-]
InChIInChI=1S/C4H11N.C4H8O.FH/c1-2-3-4-5;1-2-4-5-3-1;/h2-5H2,1H3;1-4H2;1H
InChIKeyZUHJAPAWHGOOKA-UHFFFAOYSA-N
MW165.25 g/mol
LogP-2.17
Rot. Bonds2

About butylazanium;oxolane;fluoride

butylazanium;oxolane;fluoride (PubChem CID 67136632) has the molecular formula C8H20FNO and a molecular weight of 165.25 g/mol. Its IUPAC name is butylazanium;oxolane;fluoride.

Molecular Properties

Compound Namebutylazanium;oxolane;fluoride
PubChem CID67136632
Molecular FormulaC8H20FNO
Molecular Weight165.25 g/mol
Exact Mass165.15
IUPAC Namebutylazanium;oxolane;fluoride
SMILESC1CCOC1.CCCC[NH3+].[F-]
InChIInChI=1S/C4H11N.C4H8O.FH/c1-2-3-4-5;1-2-4-5-3-1;/h2-5H2,1H3;1-4H2;1H
InChIKeyZUHJAPAWHGOOKA-UHFFFAOYSA-N
XLogP-2.17
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.25
LogP ≤ 5-2.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butylazanium;oxolane;fluoride?
The IUPAC name of butylazanium;oxolane;fluoride (CID 67136632) is butylazanium;oxolane;fluoride.
What is the SMILES notation for butylazanium;oxolane;fluoride?
The canonical SMILES for butylazanium;oxolane;fluoride is C1CCOC1.CCCC[NH3+].[F-].
What is the InChIKey of butylazanium;oxolane;fluoride?
The InChIKey is ZUHJAPAWHGOOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C4H8O.FH/c1-2-3-4-5;1-2-4-5-3-1;/h2-5H2,1H3;1-4H2;1H.
What are the key properties of butylazanium;oxolane;fluoride?
butylazanium;oxolane;fluoride has a molecular weight of 165.25 g/mol, XLogP of -2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butylazanium;oxolane;fluoride is sourced from PubChem (CID 67136632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).