ethyl(dimethyl)azanium tetrafluoroborate

C4H12BF4N — CID 174821443

IUPACethyl(dimethyl)azanium tetrafluoroborate
SMILESCC[NH+](C)C.F[B-](F)(F)F
InChIInChI=1S/C4H11N.BF4/c1-4-5(2)3;2-1(3,4)5/h4H2,1-3H3;/q;-1/p+1
InChIKeyZHVHDDPMMXECDF-UHFFFAOYSA-O
MW160.95 g/mol
LogP0.45
Rot. Bonds1

About ethyl(dimethyl)azanium tetrafluoroborate

ethyl(dimethyl)azanium tetrafluoroborate (PubChem CID 174821443) has the molecular formula C4H12BF4N and a molecular weight of 160.95 g/mol. Its IUPAC name is ethyl(dimethyl)azanium tetrafluoroborate.

Molecular Properties

Compound Nameethyl(dimethyl)azanium tetrafluoroborate
PubChem CID174821443
Molecular FormulaC4H12BF4N
Molecular Weight160.95 g/mol
Exact Mass161.10
IUPAC Nameethyl(dimethyl)azanium tetrafluoroborate
SMILESCC[NH+](C)C.F[B-](F)(F)F
InChIInChI=1S/C4H11N.BF4/c1-4-5(2)3;2-1(3,4)5/h4H2,1-3H3;/q;-1/p+1
InChIKeyZHVHDDPMMXECDF-UHFFFAOYSA-O
XLogP0.45
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.95
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 16557825
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CID 87359558
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CID 140836561
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CID 175400657

Frequently Asked Questions

What is the IUPAC name of ethyl(dimethyl)azanium tetrafluoroborate?
The IUPAC name of ethyl(dimethyl)azanium tetrafluoroborate (CID 174821443) is ethyl(dimethyl)azanium tetrafluoroborate.
What is the SMILES notation for ethyl(dimethyl)azanium tetrafluoroborate?
The canonical SMILES for ethyl(dimethyl)azanium tetrafluoroborate is CC[NH+](C)C.F[B-](F)(F)F.
What is the InChIKey of ethyl(dimethyl)azanium tetrafluoroborate?
The InChIKey is ZHVHDDPMMXECDF-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H11N.BF4/c1-4-5(2)3;2-1(3,4)5/h4H2,1-3H3;/q;-1/p+1.
What are the key properties of ethyl(dimethyl)azanium tetrafluoroborate?
ethyl(dimethyl)azanium tetrafluoroborate has a molecular weight of 160.95 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(dimethyl)azanium tetrafluoroborate is sourced from PubChem (CID 174821443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).