bis(1-ethylpyrrolidin-1-ium) ditetrafluoroborate

C12H28B2F8N2 — CID 142722303

IUPACbis(1-ethylpyrrolidin-1-ium) ditetrafluoroborate
SMILESCC[NH+]1CCCC1.CC[NH+]1CCCC1.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/2C6H13N.2BF4/c2*1-2-7-5-3-4-6-7;2*2-1(3,4)5/h2*2-6H2,1H3;;/q;;2*-1/p+2
InChIKeyCEZMPAGMHCYSLX-UHFFFAOYSA-P
MW373.98 g/mol
LogP1.97
Rot. Bonds2

About bis(1-ethylpyrrolidin-1-ium) ditetrafluoroborate

bis(1-ethylpyrrolidin-1-ium) ditetrafluoroborate (PubChem CID 142722303) has the molecular formula C12H28B2F8N2 and a molecular weight of 373.98 g/mol. Its IUPAC name is bis(1-ethylpyrrolidin-1-ium) ditetrafluoroborate.

Molecular Properties

Compound Namebis(1-ethylpyrrolidin-1-ium) ditetrafluoroborate
PubChem CID142722303
Molecular FormulaC12H28B2F8N2
Molecular Weight373.98 g/mol
Exact Mass374.23
IUPAC Namebis(1-ethylpyrrolidin-1-ium) ditetrafluoroborate
SMILESCC[NH+]1CCCC1.CC[NH+]1CCCC1.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/2C6H13N.2BF4/c2*1-2-7-5-3-4-6-7;2*2-1(3,4)5/h2*2-6H2,1H3;;/q;;2*-1/p+2
InChIKeyCEZMPAGMHCYSLX-UHFFFAOYSA-P
XLogP1.97
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.98
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethylpyrrolidin-1-ium tetrafluoroborate
CID 87289720
1-(2-methylpropyl)piperidin-1-ium tetrafluoroborate
CID 175449406
1-ethylpiperidin-1-ium;hydrogen sulfate
CID 139910002
trifluoro(pyrrolidin-1-ium-1-ylmethyl)boranuide
CID 71311002
1-ethyl-1,4-diazepan-1-ium
CID 173019186
bis(1-ethylpyrrolidin-1-ium);phthalate
CID 159805244
1-propylpiperidin-1-ium
CID 36689403
4-ethylmorpholin-4-ium;1-propan-2-ylpyrrolidin-1-ium
CID 19792725
1-ethylpyrrolidin-1-ium;phenylmethanesulfonate
CID 139909986
(1-ethylpiperidin-1-ium-4-yl)methylazanium
CID 7018114
1,1-diethylpyrrolidin-1-ium tetrafluoroborate
CID 23156701
N-(1-ethylpiperidin-1-ium-4-ylidene)hydroxylamine
CID 7064913

Frequently Asked Questions

What is the IUPAC name of bis(1-ethylpyrrolidin-1-ium) ditetrafluoroborate?
The IUPAC name of bis(1-ethylpyrrolidin-1-ium) ditetrafluoroborate (CID 142722303) is bis(1-ethylpyrrolidin-1-ium) ditetrafluoroborate.
What is the SMILES notation for bis(1-ethylpyrrolidin-1-ium) ditetrafluoroborate?
The canonical SMILES for bis(1-ethylpyrrolidin-1-ium) ditetrafluoroborate is CC[NH+]1CCCC1.CC[NH+]1CCCC1.F[B-](F)(F)F.F[B-](F)(F)F.
What is the InChIKey of bis(1-ethylpyrrolidin-1-ium) ditetrafluoroborate?
The InChIKey is CEZMPAGMHCYSLX-UHFFFAOYSA-P. The full InChI is InChI=1S/2C6H13N.2BF4/c2*1-2-7-5-3-4-6-7;2*2-1(3,4)5/h2*2-6H2,1H3;;/q;;2*-1/p+2.
What are the key properties of bis(1-ethylpyrrolidin-1-ium) ditetrafluoroborate?
bis(1-ethylpyrrolidin-1-ium) ditetrafluoroborate has a molecular weight of 373.98 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-ethylpyrrolidin-1-ium) ditetrafluoroborate is sourced from PubChem (CID 142722303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).