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

C11H20F5NO4 — CID 173031629

IUPAC2-[butyl(2-hydroxyethyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid
SMILESCCCCN(CCO)CCO.O=C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H19NO2.C3HF5O2/c1-2-3-4-9(5-7-10)6-8-11;4-2(5,1(9)10)3(6,7)8/h10-11H,2-8H2,1H3;(H,9,10)
InChIKeyMBUGAJXATXCONS-UHFFFAOYSA-N
MW325.27 g/mol
LogP1.34
Rot. Bonds8

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

2-[butyl(2-hydroxyethyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid (PubChem CID 173031629) has the molecular formula C11H20F5NO4 and a molecular weight of 325.27 g/mol. Its IUPAC name is 2-[butyl(2-hydroxyethyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid.

Molecular Properties

Compound Name2-[butyl(2-hydroxyethyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid
PubChem CID173031629
Molecular FormulaC11H20F5NO4
Molecular Weight325.27 g/mol
Exact Mass325.13
IUPAC Name2-[butyl(2-hydroxyethyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid
SMILESCCCCN(CCO)CCO.O=C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H19NO2.C3HF5O2/c1-2-3-4-9(5-7-10)6-8-11;4-2(5,1(9)10)3(6,7)8/h10-11H,2-8H2,1H3;(H,9,10)
InChIKeyMBUGAJXATXCONS-UHFFFAOYSA-N
XLogP1.34
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 51.34
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-[butyl(2-hydroxyethyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid?
The IUPAC name of 2-[butyl(2-hydroxyethyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid (CID 173031629) is 2-[butyl(2-hydroxyethyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid.
What is the SMILES notation for 2-[butyl(2-hydroxyethyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid?
The canonical SMILES for 2-[butyl(2-hydroxyethyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid is CCCCN(CCO)CCO.O=C(O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[butyl(2-hydroxyethyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid?
The InChIKey is MBUGAJXATXCONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2.C3HF5O2/c1-2-3-4-9(5-7-10)6-8-11;4-2(5,1(9)10)3(6,7)8/h10-11H,2-8H2,1H3;(H,9,10).
What are the key properties of 2-[butyl(2-hydroxyethyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid?
2-[butyl(2-hydroxyethyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid has a molecular weight of 325.27 g/mol, XLogP of 1.34, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2-hydroxyethyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid is sourced from PubChem (CID 173031629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).