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

C8H14F3NO2 — CID 59204074

IUPAC2-(diethylamino)ethyl 2,2,2-trifluoroacetate
SMILESCCN(CC)CCOC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-3-12(4-2)5-6-14-7(13)8(9,10)11/h3-6H2,1-2H3
InChIKeyUCMAZQOMZUHRAS-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.43
Rot. Bonds5

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

2-(diethylamino)ethyl 2,2,2-trifluoroacetate (PubChem CID 59204074) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2,2,2-trifluoroacetate
PubChem CID59204074
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2-(diethylamino)ethyl 2,2,2-trifluoroacetate
SMILESCCN(CC)CCOC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-3-12(4-2)5-6-14-7(13)8(9,10)11/h3-6H2,1-2H3
InChIKeyUCMAZQOMZUHRAS-UHFFFAOYSA-N
XLogP1.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-(diethylamino)ethyl 2,2,2-trifluoroacetate (CID 59204074) is 2-(diethylamino)ethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-(diethylamino)ethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-(diethylamino)ethyl 2,2,2-trifluoroacetate is CCN(CC)CCOC(=O)C(F)(F)F.
What is the InChIKey of 2-(diethylamino)ethyl 2,2,2-trifluoroacetate?
The InChIKey is UCMAZQOMZUHRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-3-12(4-2)5-6-14-7(13)8(9,10)11/h3-6H2,1-2H3.
What are the key properties of 2-(diethylamino)ethyl 2,2,2-trifluoroacetate?
2-(diethylamino)ethyl 2,2,2-trifluoroacetate has a molecular weight of 213.20 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 59204074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).