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

C7H12F5NO3 — CID 86075914

IUPAC2-(dimethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid
SMILESCN(C)CCO.O=C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H11NO.C3HF5O2/c1-5(2)3-4-6;4-2(5,1(9)10)3(6,7)8/h6H,3-4H2,1-2H3;(H,9,10)
InChIKeyFAJKOJSWGDJCQW-UHFFFAOYSA-N
MW253.17 g/mol
LogP0.81
Rot. Bonds3

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

2-(dimethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid (PubChem CID 86075914) has the molecular formula C7H12F5NO3 and a molecular weight of 253.17 g/mol. Its IUPAC name is 2-(dimethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid.

Molecular Properties

Compound Name2-(dimethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid
PubChem CID86075914
Molecular FormulaC7H12F5NO3
Molecular Weight253.17 g/mol
Exact Mass253.07
IUPAC Name2-(dimethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid
SMILESCN(C)CCO.O=C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H11NO.C3HF5O2/c1-5(2)3-4-6;4-2(5,1(9)10)3(6,7)8/h6H,3-4H2,1-2H3;(H,9,10)
InChIKeyFAJKOJSWGDJCQW-UHFFFAOYSA-N
XLogP0.81
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.17
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(dimethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid?
The IUPAC name of 2-(dimethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid (CID 86075914) is 2-(dimethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid.
What is the SMILES notation for 2-(dimethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid?
The canonical SMILES for 2-(dimethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid is CN(C)CCO.O=C(O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(dimethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid?
The InChIKey is FAJKOJSWGDJCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.C3HF5O2/c1-5(2)3-4-6;4-2(5,1(9)10)3(6,7)8/h6H,3-4H2,1-2H3;(H,9,10).
What are the key properties of 2-(dimethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid?
2-(dimethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid has a molecular weight of 253.17 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethanol;2,2,3,3,3-pentafluoropropanoic acid is sourced from PubChem (CID 86075914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).