2-[2-hydroxyethyl(methyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid

C8H14F5NO4 — CID 175205705

IUPAC2-[2-hydroxyethyl(methyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid
SMILESCN(CCO)CCO.O=C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H13NO2.C3HF5O2/c1-6(2-4-7)3-5-8;4-2(5,1(9)10)3(6,7)8/h7-8H,2-5H2,1H3;(H,9,10)
InChIKeyJDGOVWZQDOXFTJ-UHFFFAOYSA-N
MW283.19 g/mol
LogP0.17
Rot. Bonds5

About 2-[2-hydroxyethyl(methyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid

2-[2-hydroxyethyl(methyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid (PubChem CID 175205705) has the molecular formula C8H14F5NO4 and a molecular weight of 283.19 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(methyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid.

Molecular Properties

Compound Name2-[2-hydroxyethyl(methyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid
PubChem CID175205705
Molecular FormulaC8H14F5NO4
Molecular Weight283.19 g/mol
Exact Mass283.08
IUPAC Name2-[2-hydroxyethyl(methyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid
SMILESCN(CCO)CCO.O=C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H13NO2.C3HF5O2/c1-6(2-4-7)3-5-8;4-2(5,1(9)10)3(6,7)8/h7-8H,2-5H2,1H3;(H,9,10)
InChIKeyJDGOVWZQDOXFTJ-UHFFFAOYSA-N
XLogP0.17
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(methyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid?
The IUPAC name of 2-[2-hydroxyethyl(methyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid (CID 175205705) is 2-[2-hydroxyethyl(methyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid.
What is the SMILES notation for 2-[2-hydroxyethyl(methyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid?
The canonical SMILES for 2-[2-hydroxyethyl(methyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid is CN(CCO)CCO.O=C(O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[2-hydroxyethyl(methyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid?
The InChIKey is JDGOVWZQDOXFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2.C3HF5O2/c1-6(2-4-7)3-5-8;4-2(5,1(9)10)3(6,7)8/h7-8H,2-5H2,1H3;(H,9,10).
What are the key properties of 2-[2-hydroxyethyl(methyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid?
2-[2-hydroxyethyl(methyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid has a molecular weight of 283.19 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(methyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid is sourced from PubChem (CID 175205705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).