1-(diethylamino)ethyl 2,2,2-trifluoroacetate

C8H14F3NO2 — CID 141198748

IUPAC1-(diethylamino)ethyl 2,2,2-trifluoroacetate
SMILESCCN(CC)C(C)OC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-4-12(5-2)6(3)14-7(13)8(9,10)11/h6H,4-5H2,1-3H3
InChIKeyNHDVYTZNGPTKRJ-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.78
Rot. Bonds4

About 1-(diethylamino)ethyl 2,2,2-trifluoroacetate

1-(diethylamino)ethyl 2,2,2-trifluoroacetate (PubChem CID 141198748) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 1-(diethylamino)ethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name1-(diethylamino)ethyl 2,2,2-trifluoroacetate
PubChem CID141198748
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name1-(diethylamino)ethyl 2,2,2-trifluoroacetate
SMILESCCN(CC)C(C)OC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-4-12(5-2)6(3)14-7(13)8(9,10)11/h6H,4-5H2,1-3H3
InChIKeyNHDVYTZNGPTKRJ-UHFFFAOYSA-N
XLogP1.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)ethyl 2,2,2-trifluoroacetate?
The IUPAC name of 1-(diethylamino)ethyl 2,2,2-trifluoroacetate (CID 141198748) is 1-(diethylamino)ethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 1-(diethylamino)ethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 1-(diethylamino)ethyl 2,2,2-trifluoroacetate is CCN(CC)C(C)OC(=O)C(F)(F)F.
What is the InChIKey of 1-(diethylamino)ethyl 2,2,2-trifluoroacetate?
The InChIKey is NHDVYTZNGPTKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-4-12(5-2)6(3)14-7(13)8(9,10)11/h6H,4-5H2,1-3H3.
What are the key properties of 1-(diethylamino)ethyl 2,2,2-trifluoroacetate?
1-(diethylamino)ethyl 2,2,2-trifluoroacetate has a molecular weight of 213.20 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)ethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 141198748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).