tris(2-hydroxyethyl)-methylazanium tetrafluoroborate

C7H18BF4NO3 — CID 18442246

IUPACtris(2-hydroxyethyl)-methylazanium tetrafluoroborate
SMILESC[N+](CCO)(CCO)CCO.F[B-](F)(F)F
InChIInChI=1S/C7H18NO3.BF4/c1-8(2-5-9,3-6-10)4-7-11;2-1(3,4)5/h9-11H,2-7H2,1H3;/q+1;-1
InChIKeyVFKRKSCMYJYSSE-UHFFFAOYSA-N
MW251.03 g/mol
LogP-0.29
Rot. Bonds6

About tris(2-hydroxyethyl)-methylazanium tetrafluoroborate

tris(2-hydroxyethyl)-methylazanium tetrafluoroborate (PubChem CID 18442246) has the molecular formula C7H18BF4NO3 and a molecular weight of 251.03 g/mol. Its IUPAC name is tris(2-hydroxyethyl)-methylazanium tetrafluoroborate.

Molecular Properties

Compound Nametris(2-hydroxyethyl)-methylazanium tetrafluoroborate
PubChem CID18442246
Molecular FormulaC7H18BF4NO3
Molecular Weight251.03 g/mol
Exact Mass251.13
IUPAC Nametris(2-hydroxyethyl)-methylazanium tetrafluoroborate
SMILESC[N+](CCO)(CCO)CCO.F[B-](F)(F)F
InChIInChI=1S/C7H18NO3.BF4/c1-8(2-5-9,3-6-10)4-7-11;2-1(3,4)5/h9-11H,2-7H2,1H3;/q+1;-1
InChIKeyVFKRKSCMYJYSSE-UHFFFAOYSA-N
XLogP-0.29
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.03
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 tris(2-hydroxyethyl)-methylazanium tetrafluoroborate?
The IUPAC name of tris(2-hydroxyethyl)-methylazanium tetrafluoroborate (CID 18442246) is tris(2-hydroxyethyl)-methylazanium tetrafluoroborate.
What is the SMILES notation for tris(2-hydroxyethyl)-methylazanium tetrafluoroborate?
The canonical SMILES for tris(2-hydroxyethyl)-methylazanium tetrafluoroborate is C[N+](CCO)(CCO)CCO.F[B-](F)(F)F.
What is the InChIKey of tris(2-hydroxyethyl)-methylazanium tetrafluoroborate?
The InChIKey is VFKRKSCMYJYSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NO3.BF4/c1-8(2-5-9,3-6-10)4-7-11;2-1(3,4)5/h9-11H,2-7H2,1H3;/q+1;-1.
What are the key properties of tris(2-hydroxyethyl)-methylazanium tetrafluoroborate?
tris(2-hydroxyethyl)-methylazanium tetrafluoroborate has a molecular weight of 251.03 g/mol, XLogP of -0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-hydroxyethyl)-methylazanium tetrafluoroborate is sourced from PubChem (CID 18442246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).