2-(diethylamino)ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate

C11H14F9NO2 — CID 59013005

IUPAC2-(diethylamino)ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
SMILESCCN(CC)CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H14F9NO2/c1-3-21(4-2)5-6-23-7(22)8(12,13)9(14,15)10(16,17)11(18,19)20/h3-6H2,1-2H3
InChIKeyJRALKVQFSWWINY-UHFFFAOYSA-N
MW363.22 g/mol
LogP3.34
Rot. Bonds8

About 2-(diethylamino)ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate

2-(diethylamino)ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate (PubChem CID 59013005) has the molecular formula C11H14F9NO2 and a molecular weight of 363.22 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
PubChem CID59013005
Molecular FormulaC11H14F9NO2
Molecular Weight363.22 g/mol
Exact Mass363.09
IUPAC Name2-(diethylamino)ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
SMILESCCN(CC)CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H14F9NO2/c1-3-21(4-2)5-6-23-7(22)8(12,13)9(14,15)10(16,17)11(18,19)20/h3-6H2,1-2H3
InChIKeyJRALKVQFSWWINY-UHFFFAOYSA-N
XLogP3.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(diethylamino)ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate?
The IUPAC name of 2-(diethylamino)ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate (CID 59013005) is 2-(diethylamino)ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate.
What is the SMILES notation for 2-(diethylamino)ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate?
The canonical SMILES for 2-(diethylamino)ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate is CCN(CC)CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(diethylamino)ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate?
The InChIKey is JRALKVQFSWWINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F9NO2/c1-3-21(4-2)5-6-23-7(22)8(12,13)9(14,15)10(16,17)11(18,19)20/h3-6H2,1-2H3.
What are the key properties of 2-(diethylamino)ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate?
2-(diethylamino)ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate has a molecular weight of 363.22 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate is sourced from PubChem (CID 59013005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).