1-amino-2-(2-hydroxyethoxy)ethanol;hydrofluoride

C4H12FNO3 — CID 173050700

IUPAC1-amino-2-(2-hydroxyethoxy)ethanol;hydrofluoride
SMILESF.NC(O)COCCO
InChIInChI=1S/C4H11NO3.FH/c5-4(7)3-8-2-1-6;/h4,6-7H,1-3,5H2;1H
InChIKeyQPQCRUOEMYUTIP-UHFFFAOYSA-N
MW141.14 g/mol
LogP-1.58
Rot. Bonds4

About 1-amino-2-(2-hydroxyethoxy)ethanol;hydrofluoride

1-amino-2-(2-hydroxyethoxy)ethanol;hydrofluoride (PubChem CID 173050700) has the molecular formula C4H12FNO3 and a molecular weight of 141.14 g/mol. Its IUPAC name is 1-amino-2-(2-hydroxyethoxy)ethanol;hydrofluoride.

Molecular Properties

Compound Name1-amino-2-(2-hydroxyethoxy)ethanol;hydrofluoride
PubChem CID173050700
Molecular FormulaC4H12FNO3
Molecular Weight141.14 g/mol
Exact Mass141.08
IUPAC Name1-amino-2-(2-hydroxyethoxy)ethanol;hydrofluoride
SMILESF.NC(O)COCCO
InChIInChI=1S/C4H11NO3.FH/c5-4(7)3-8-2-1-6;/h4,6-7H,1-3,5H2;1H
InChIKeyQPQCRUOEMYUTIP-UHFFFAOYSA-N
XLogP-1.58
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-2-aminopropoxy]ethanol
CID 21097963
(1R)-1-amino-2-[2-(2-aminoethoxy)ethoxy]ethanol
CID 118402947
1-(2-hydroxyethoxy)propan-2-ol
CID 19360868
4-amino-1-(2-hydroxyethoxy)pentan-2-ol
CID 158045647
2-(2-hydroxyethoxy)-1-[[1-hydroxy-2-(2-hydroxyethoxy)ethyl]amino]ethanol
CID 54143960
3-(2-amino-2-hydroxyethoxy)propane-1,2-diol
CID 87602858
2-[2-[2-[2-[2-(2-amino-2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 90384666
2-(2-hydroxyethoxy)ethanol;1-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol
CID 161004910
2-hydroxy-3-(2-hydroxyethoxy)propan-1-olate
CID 59229184
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-sulfanylethanol
CID 178070711
1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 86587580
2-(2-aminopropoxy)ethanol;2-methylbut-2-ene
CID 174594441

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-hydroxyethoxy)ethanol;hydrofluoride?
The IUPAC name of 1-amino-2-(2-hydroxyethoxy)ethanol;hydrofluoride (CID 173050700) is 1-amino-2-(2-hydroxyethoxy)ethanol;hydrofluoride.
What is the SMILES notation for 1-amino-2-(2-hydroxyethoxy)ethanol;hydrofluoride?
The canonical SMILES for 1-amino-2-(2-hydroxyethoxy)ethanol;hydrofluoride is F.NC(O)COCCO.
What is the InChIKey of 1-amino-2-(2-hydroxyethoxy)ethanol;hydrofluoride?
The InChIKey is QPQCRUOEMYUTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3.FH/c5-4(7)3-8-2-1-6;/h4,6-7H,1-3,5H2;1H.
What are the key properties of 1-amino-2-(2-hydroxyethoxy)ethanol;hydrofluoride?
1-amino-2-(2-hydroxyethoxy)ethanol;hydrofluoride has a molecular weight of 141.14 g/mol, XLogP of -1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-hydroxyethoxy)ethanol;hydrofluoride is sourced from PubChem (CID 173050700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).