ethyl-dimethyl-phenylazanium tetrafluoroborate

C10H16BF4N — CID 139243462

IUPACethyl-dimethyl-phenylazanium tetrafluoroborate
SMILESCC[N+](C)(C)c1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C10H16N.BF4/c1-4-11(2,3)10-8-6-5-7-9-10;2-1(3,4)5/h5-9H,4H2,1-3H3;/q+1;-1
InChIKeyZXKDEAQCWINOKT-UHFFFAOYSA-N
MW237.05 g/mol
LogP3.57
Rot. Bonds2

About ethyl-dimethyl-phenylazanium tetrafluoroborate

ethyl-dimethyl-phenylazanium tetrafluoroborate (PubChem CID 139243462) has the molecular formula C10H16BF4N and a molecular weight of 237.05 g/mol. Its IUPAC name is ethyl-dimethyl-phenylazanium tetrafluoroborate.

Molecular Properties

Compound Nameethyl-dimethyl-phenylazanium tetrafluoroborate
PubChem CID139243462
Molecular FormulaC10H16BF4N
Molecular Weight237.05 g/mol
Exact Mass237.13
IUPAC Nameethyl-dimethyl-phenylazanium tetrafluoroborate
SMILESCC[N+](C)(C)c1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C10H16N.BF4/c1-4-11(2,3)10-8-6-5-7-9-10;2-1(3,4)5/h5-9H,4H2,1-3H3;/q+1;-1
InChIKeyZXKDEAQCWINOKT-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.05
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-phenylazanium tetrafluoroborate?
The IUPAC name of ethyl-dimethyl-phenylazanium tetrafluoroborate (CID 139243462) is ethyl-dimethyl-phenylazanium tetrafluoroborate.
What is the SMILES notation for ethyl-dimethyl-phenylazanium tetrafluoroborate?
The canonical SMILES for ethyl-dimethyl-phenylazanium tetrafluoroborate is CC[N+](C)(C)c1ccccc1.F[B-](F)(F)F.
What is the InChIKey of ethyl-dimethyl-phenylazanium tetrafluoroborate?
The InChIKey is ZXKDEAQCWINOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N.BF4/c1-4-11(2,3)10-8-6-5-7-9-10;2-1(3,4)5/h5-9H,4H2,1-3H3;/q+1;-1.
What are the key properties of ethyl-dimethyl-phenylazanium tetrafluoroborate?
ethyl-dimethyl-phenylazanium tetrafluoroborate has a molecular weight of 237.05 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-phenylazanium tetrafluoroborate is sourced from PubChem (CID 139243462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).