1,1-dimethylpyrrolidin-1-ium;methanol;tetrafluoroborate

C7H18BF4NO — CID 175569580

IUPAC1,1-dimethylpyrrolidin-1-ium;methanol;tetrafluoroborate
SMILESCO.C[N+]1(C)CCCC1.F[B-](F)(F)F
InChIInChI=1S/C6H14N.CH4O.BF4/c1-7(2)5-3-4-6-7;1-2;2-1(3,4)5/h3-6H2,1-2H3;2H,1H3;/q+1;;-1
InChIKeyAFAZDTAAIHYOCW-UHFFFAOYSA-N
MW219.03 g/mol
LogP1.77
Rot. Bonds

About 1,1-dimethylpyrrolidin-1-ium;methanol;tetrafluoroborate

1,1-dimethylpyrrolidin-1-ium;methanol;tetrafluoroborate (PubChem CID 175569580) has the molecular formula C7H18BF4NO and a molecular weight of 219.03 g/mol. Its IUPAC name is 1,1-dimethylpyrrolidin-1-ium;methanol;tetrafluoroborate.

Molecular Properties

Compound Name1,1-dimethylpyrrolidin-1-ium;methanol;tetrafluoroborate
PubChem CID175569580
Molecular FormulaC7H18BF4NO
Molecular Weight219.03 g/mol
Exact Mass219.14
IUPAC Name1,1-dimethylpyrrolidin-1-ium;methanol;tetrafluoroborate
SMILESCO.C[N+]1(C)CCCC1.F[B-](F)(F)F
InChIInChI=1S/C6H14N.CH4O.BF4/c1-7(2)5-3-4-6-7;1-2;2-1(3,4)5/h3-6H2,1-2H3;2H,1H3;/q+1;;-1
InChIKeyAFAZDTAAIHYOCW-UHFFFAOYSA-N
XLogP1.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.03
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

cyclopropane;bis(1,1-dimethylpiperidin-1-ium)
CID 67708683
1,1-dimethylpyrrolidin-1-ium hydroxide
CID 21468512
1,1,8,8-tetramethyl-1,8-diazoniacyclotetradecane
CID 158814736
1,1-dimethyl-azoniacycloundecane iodide
CID 121010935
1,1-dimethylpiperidin-1-ium;ethane;uranium
CID 171513680
pentadecakis(1,1-dimethylpiperidin-1-ium);pentaborate
CID 140523104
1,1-dimethylazetidin-1-ium;dihydroiodide
CID 146173684
bis(trifluoromethylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium
CID 141312811
1,1-dimethylpyrrolidin-1-ium isocyanate
CID 66868489
1,1-dimethylaziridin-1-ium iodide
CID 88764737
(Z)-but-2-enedioate;bis(1,1-dimethylpyrrolidin-1-ium)
CID 70360430
1,1-diethylpyrrolidin-1-ium tetrafluoroborate
CID 23156701

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylpyrrolidin-1-ium;methanol;tetrafluoroborate?
The IUPAC name of 1,1-dimethylpyrrolidin-1-ium;methanol;tetrafluoroborate (CID 175569580) is 1,1-dimethylpyrrolidin-1-ium;methanol;tetrafluoroborate.
What is the SMILES notation for 1,1-dimethylpyrrolidin-1-ium;methanol;tetrafluoroborate?
The canonical SMILES for 1,1-dimethylpyrrolidin-1-ium;methanol;tetrafluoroborate is CO.C[N+]1(C)CCCC1.F[B-](F)(F)F.
What is the InChIKey of 1,1-dimethylpyrrolidin-1-ium;methanol;tetrafluoroborate?
The InChIKey is AFAZDTAAIHYOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N.CH4O.BF4/c1-7(2)5-3-4-6-7;1-2;2-1(3,4)5/h3-6H2,1-2H3;2H,1H3;/q+1;;-1.
What are the key properties of 1,1-dimethylpyrrolidin-1-ium;methanol;tetrafluoroborate?
1,1-dimethylpyrrolidin-1-ium;methanol;tetrafluoroborate has a molecular weight of 219.03 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylpyrrolidin-1-ium;methanol;tetrafluoroborate is sourced from PubChem (CID 175569580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).