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

C9H16F5NO4 — CID 175214448

IUPAC2-[ethyl(2-hydroxyethyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid
SMILESCCN(CCO)CCO.O=C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H15NO2.C3HF5O2/c1-2-7(3-5-8)4-6-9;4-2(5,1(9)10)3(6,7)8/h8-9H,2-6H2,1H3;(H,9,10)
InChIKeyHDJQJKVATQUEDH-UHFFFAOYSA-N
MW297.22 g/mol
LogP0.56
Rot. Bonds6

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

2-[ethyl(2-hydroxyethyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid (PubChem CID 175214448) has the molecular formula C9H16F5NO4 and a molecular weight of 297.22 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxyethyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid.

Molecular Properties

Compound Name2-[ethyl(2-hydroxyethyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid
PubChem CID175214448
Molecular FormulaC9H16F5NO4
Molecular Weight297.22 g/mol
Exact Mass297.10
IUPAC Name2-[ethyl(2-hydroxyethyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid
SMILESCCN(CCO)CCO.O=C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H15NO2.C3HF5O2/c1-2-7(3-5-8)4-6-9;4-2(5,1(9)10)3(6,7)8/h8-9H,2-6H2,1H3;(H,9,10)
InChIKeyHDJQJKVATQUEDH-UHFFFAOYSA-N
XLogP0.56
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 50.56
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-[ethyl(2-hydroxyethyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid?
The IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid (CID 175214448) is 2-[ethyl(2-hydroxyethyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid.
What is the SMILES notation for 2-[ethyl(2-hydroxyethyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid?
The canonical SMILES for 2-[ethyl(2-hydroxyethyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid is CCN(CCO)CCO.O=C(O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[ethyl(2-hydroxyethyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid?
The InChIKey is HDJQJKVATQUEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2.C3HF5O2/c1-2-7(3-5-8)4-6-9;4-2(5,1(9)10)3(6,7)8/h8-9H,2-6H2,1H3;(H,9,10).
What are the key properties of 2-[ethyl(2-hydroxyethyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid?
2-[ethyl(2-hydroxyethyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid has a molecular weight of 297.22 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-hydroxyethyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid is sourced from PubChem (CID 175214448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).