2-(2-hydroxyethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid

C7H12F5NO4 — CID 86076050

IUPAC2-(2-hydroxyethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)F.OCCNCCO
InChIInChI=1S/C4H11NO2.C3HF5O2/c6-3-1-5-2-4-7;4-2(5,1(9)10)3(6,7)8/h5-7H,1-4H2;(H,9,10)
InChIKeyJCXGOQAOHJJCEK-UHFFFAOYSA-N
MW269.17 g/mol
LogP-0.17
Rot. Bonds5

About 2-(2-hydroxyethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid

2-(2-hydroxyethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid (PubChem CID 86076050) has the molecular formula C7H12F5NO4 and a molecular weight of 269.17 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid
PubChem CID86076050
Molecular FormulaC7H12F5NO4
Molecular Weight269.17 g/mol
Exact Mass269.07
IUPAC Name2-(2-hydroxyethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)F.OCCNCCO
InChIInChI=1S/C4H11NO2.C3HF5O2/c6-3-1-5-2-4-7;4-2(5,1(9)10)3(6,7)8/h5-7H,1-4H2;(H,9,10)
InChIKeyJCXGOQAOHJJCEK-UHFFFAOYSA-N
XLogP-0.17
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid?
The IUPAC name of 2-(2-hydroxyethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid (CID 86076050) is 2-(2-hydroxyethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid?
The canonical SMILES for 2-(2-hydroxyethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid is O=C(O)C(F)(F)C(F)(F)F.OCCNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid?
The InChIKey is JCXGOQAOHJJCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.C3HF5O2/c6-3-1-5-2-4-7;4-2(5,1(9)10)3(6,7)8/h5-7H,1-4H2;(H,9,10).
What are the key properties of 2-(2-hydroxyethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid?
2-(2-hydroxyethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid has a molecular weight of 269.17 g/mol, XLogP of -0.17, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid is sourced from PubChem (CID 86076050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).