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

C9H10F9NO2 — CID 59012998

IUPAC2-(dimethylamino)ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
SMILESCN(C)CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F9NO2/c1-19(2)3-4-21-5(20)6(10,11)7(12,13)8(14,15)9(16,17)18/h3-4H2,1-2H3
InChIKeyKNEYYIDSCUUTEJ-UHFFFAOYSA-N
MW335.17 g/mol
LogP2.56
Rot. Bonds6

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

2-(dimethylamino)ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate (PubChem CID 59012998) has the molecular formula C9H10F9NO2 and a molecular weight of 335.17 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
PubChem CID59012998
Molecular FormulaC9H10F9NO2
Molecular Weight335.17 g/mol
Exact Mass335.06
IUPAC Name2-(dimethylamino)ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
SMILESCN(C)CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F9NO2/c1-19(2)3-4-21-5(20)6(10,11)7(12,13)8(14,15)9(16,17)18/h3-4H2,1-2H3
InChIKeyKNEYYIDSCUUTEJ-UHFFFAOYSA-N
XLogP2.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.17
LogP ≤ 52.56
H-Bond Donors ≤ 50
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)ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate?
The IUPAC name of 2-(dimethylamino)ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate (CID 59012998) is 2-(dimethylamino)ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate?
The canonical SMILES for 2-(dimethylamino)ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate is CN(C)CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(dimethylamino)ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate?
The InChIKey is KNEYYIDSCUUTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F9NO2/c1-19(2)3-4-21-5(20)6(10,11)7(12,13)8(14,15)9(16,17)18/h3-4H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate?
2-(dimethylamino)ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate has a molecular weight of 335.17 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate is sourced from PubChem (CID 59012998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).