1-(1-hydroxyethylamino)ethanol;2,2,2-trichloroacetic acid

C6H12Cl3NO4 — CID 173188984

IUPAC1-(1-hydroxyethylamino)ethanol;2,2,2-trichloroacetic acid
SMILESCC(O)NC(C)O.O=C(O)C(Cl)(Cl)Cl
InChIInChI=1S/C4H11NO2.C2HCl3O2/c1-3(6)5-4(2)7;3-2(4,5)1(6)7/h3-7H,1-2H3;(H,6,7)
InChIKeyIKWYMASHKMPGMX-UHFFFAOYSA-N
MW268.52 g/mol
LogP0.69
Rot. Bonds2

About 1-(1-hydroxyethylamino)ethanol;2,2,2-trichloroacetic acid

1-(1-hydroxyethylamino)ethanol;2,2,2-trichloroacetic acid (PubChem CID 173188984) has the molecular formula C6H12Cl3NO4 and a molecular weight of 268.52 g/mol. Its IUPAC name is 1-(1-hydroxyethylamino)ethanol;2,2,2-trichloroacetic acid.

Molecular Properties

Compound Name1-(1-hydroxyethylamino)ethanol;2,2,2-trichloroacetic acid
PubChem CID173188984
Molecular FormulaC6H12Cl3NO4
Molecular Weight268.52 g/mol
Exact Mass266.98
IUPAC Name1-(1-hydroxyethylamino)ethanol;2,2,2-trichloroacetic acid
SMILESCC(O)NC(C)O.O=C(O)C(Cl)(Cl)Cl
InChIInChI=1S/C4H11NO2.C2HCl3O2/c1-3(6)5-4(2)7;3-2(4,5)1(6)7/h3-7H,1-2H3;(H,6,7)
InChIKeyIKWYMASHKMPGMX-UHFFFAOYSA-N
XLogP0.69
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.52
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-ylsilane;2,2,2-trichloroacetic acid
CID 174846669
(1S)-1-[[(1S)-1-hydroxyethyl]amino]ethanol
CID 93481820
1-(1-hydroxyethylamino)ethanol
CID 18183743
2,3-dihydroxybutanedioic acid;1-(1-hydroxyethylamino)ethanol
CID 173051476
2-hydroxyacetic acid;1-(1-hydroxyethylamino)ethanol
CID 173051150
1-(1-hydroxyethylamino)ethanol;terephthalic acid
CID 175260616
1-(1-hydroxyethylamino)ethanol;hydrobromide
CID 173051488
1-(1-hydroxyethylamino)ethanol;hydrochloride
CID 57449436
hexanedioic acid;1-(1-hydroxyethylamino)ethanol
CID 87300417
tetramethylazanium;2,2,2-trichloroacetic acid
CID 19752148
dilithium;hydride;2,2,2-trichloroacetic acid
CID 175045504
formic acid;1-(1-hydroxyethylamino)ethanol
CID 87300011

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyethylamino)ethanol;2,2,2-trichloroacetic acid?
The IUPAC name of 1-(1-hydroxyethylamino)ethanol;2,2,2-trichloroacetic acid (CID 173188984) is 1-(1-hydroxyethylamino)ethanol;2,2,2-trichloroacetic acid.
What is the SMILES notation for 1-(1-hydroxyethylamino)ethanol;2,2,2-trichloroacetic acid?
The canonical SMILES for 1-(1-hydroxyethylamino)ethanol;2,2,2-trichloroacetic acid is CC(O)NC(C)O.O=C(O)C(Cl)(Cl)Cl.
What is the InChIKey of 1-(1-hydroxyethylamino)ethanol;2,2,2-trichloroacetic acid?
The InChIKey is IKWYMASHKMPGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.C2HCl3O2/c1-3(6)5-4(2)7;3-2(4,5)1(6)7/h3-7H,1-2H3;(H,6,7).
What are the key properties of 1-(1-hydroxyethylamino)ethanol;2,2,2-trichloroacetic acid?
1-(1-hydroxyethylamino)ethanol;2,2,2-trichloroacetic acid has a molecular weight of 268.52 g/mol, XLogP of 0.69, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethylamino)ethanol;2,2,2-trichloroacetic acid is sourced from PubChem (CID 173188984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).