hydron;2-[2-hydroxyethyl(methyl)amino]ethanol;tetrafluoroborate

C5H14BF4NO2 — CID 174603655

IUPAChydron;2-[2-hydroxyethyl(methyl)amino]ethanol;tetrafluoroborate
SMILESCN(CCO)CCO.F[B-](F)(F)F.[H+]
InChIInChI=1S/C5H13NO2.BF4/c1-6(2-4-7)3-5-8;2-1(3,4)5/h7-8H,2-5H2,1H3;/q;-1/p+1
InChIKeyULCBULLKTDNNJU-UHFFFAOYSA-O
MW206.98 g/mol
LogP0.32
Rot. Bonds4

About hydron;2-[2-hydroxyethyl(methyl)amino]ethanol;tetrafluoroborate

hydron;2-[2-hydroxyethyl(methyl)amino]ethanol;tetrafluoroborate (PubChem CID 174603655) has the molecular formula C5H14BF4NO2 and a molecular weight of 206.98 g/mol. Its IUPAC name is hydron;2-[2-hydroxyethyl(methyl)amino]ethanol;tetrafluoroborate.

Molecular Properties

Compound Namehydron;2-[2-hydroxyethyl(methyl)amino]ethanol;tetrafluoroborate
PubChem CID174603655
Molecular FormulaC5H14BF4NO2
Molecular Weight206.98 g/mol
Exact Mass207.11
IUPAC Namehydron;2-[2-hydroxyethyl(methyl)amino]ethanol;tetrafluoroborate
SMILESCN(CCO)CCO.F[B-](F)(F)F.[H+]
InChIInChI=1S/C5H13NO2.BF4/c1-6(2-4-7)3-5-8;2-1(3,4)5/h7-8H,2-5H2,1H3;/q;-1/p+1
InChIKeyULCBULLKTDNNJU-UHFFFAOYSA-O
XLogP0.32
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.98
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 169191994
2-[2-hydroxyethyl(methyl)amino]ethanol;propane
CID 142839761
2-[2-[2-hydroxyethyl-[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-methylamino]ethanol
CID 139832314
acetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 160580460
2-[2-hydroxyethyl(methyl)amino]ethanol;sulfamic acid
CID 174686265
CID 59270461
CID 59270461
2-[ethyl(methyl)amino]ethanol;hydrate
CID 174397905
2-[4-aminobutyl(methyl)amino]ethanol
CID 12647849
2-[methyl(9-sulfanylnonyl)amino]ethanol
CID 105344075
2-[methyl(pent-3-ynyl)amino]ethanol
CID 104744034
2-[methyl(undecyl)amino]ethanol;hydrochloride
CID 174969696
2-[heptadecyl(methyl)amino]ethanol;hydrochloride
CID 175607509

Frequently Asked Questions

What is the IUPAC name of hydron;2-[2-hydroxyethyl(methyl)amino]ethanol;tetrafluoroborate?
The IUPAC name of hydron;2-[2-hydroxyethyl(methyl)amino]ethanol;tetrafluoroborate (CID 174603655) is hydron;2-[2-hydroxyethyl(methyl)amino]ethanol;tetrafluoroborate.
What is the SMILES notation for hydron;2-[2-hydroxyethyl(methyl)amino]ethanol;tetrafluoroborate?
The canonical SMILES for hydron;2-[2-hydroxyethyl(methyl)amino]ethanol;tetrafluoroborate is CN(CCO)CCO.F[B-](F)(F)F.[H+].
What is the InChIKey of hydron;2-[2-hydroxyethyl(methyl)amino]ethanol;tetrafluoroborate?
The InChIKey is ULCBULLKTDNNJU-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H13NO2.BF4/c1-6(2-4-7)3-5-8;2-1(3,4)5/h7-8H,2-5H2,1H3;/q;-1/p+1.
What are the key properties of hydron;2-[2-hydroxyethyl(methyl)amino]ethanol;tetrafluoroborate?
hydron;2-[2-hydroxyethyl(methyl)amino]ethanol;tetrafluoroborate has a molecular weight of 206.98 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2-[2-hydroxyethyl(methyl)amino]ethanol;tetrafluoroborate is sourced from PubChem (CID 174603655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).