2-[butyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate

C12H17F6NO4 — CID 91717616

IUPAC2-[butyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate
SMILESCCCCN(CCOC(=O)C(F)(F)F)CCOC(=O)C(F)(F)F
InChIInChI=1S/C12H17F6NO4/c1-2-3-4-19(5-7-22-9(20)11(13,14)15)6-8-23-10(21)12(16,17)18/h2-8H2,1H3
InChIKeyRXJJAADPTHEHDZ-UHFFFAOYSA-N
MW353.26 g/mol
LogP2.30
Rot. Bonds9

About 2-[butyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate

2-[butyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate (PubChem CID 91717616) has the molecular formula C12H17F6NO4 and a molecular weight of 353.26 g/mol. Its IUPAC name is 2-[butyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-[butyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate
PubChem CID91717616
Molecular FormulaC12H17F6NO4
Molecular Weight353.26 g/mol
Exact Mass353.11
IUPAC Name2-[butyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate
SMILESCCCCN(CCOC(=O)C(F)(F)F)CCOC(=O)C(F)(F)F
InChIInChI=1S/C12H17F6NO4/c1-2-3-4-19(5-7-22-9(20)11(13,14)15)6-8-23-10(21)12(16,17)18/h2-8H2,1H3
InChIKeyRXJJAADPTHEHDZ-UHFFFAOYSA-N
XLogP2.30
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[butyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate with MolForge

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

Launch Full Analysis

Related Compounds

Methanamine, bis(2-trifluoroacetoxyethyl)-
CID 603532
Ethanamine, N,N-bis(2-trifluoroacetoxyethyl)-
CID 607729
2-(Diethylamino)ethyl 2,2,3,3,3-pentafluoropropanoate
CID 57824068
2-(Diethylamino)ethyl 2,2,2-trifluoroacetate
CID 59204074
(Ethylazanediyl)bis(ethane-2,1-diyl) bis(2,2,3,3,3-pentafluoropropanoate)
CID 91738534
2a{[2a(Acetyloxy)a3-(perfluoroalkyl)propyl]dimethylazaniumyl}acetate
CID 165368046
Amine, N,N,N-tris(2-trifluoroacetoxyethyl)-
CID 587991
2-(Diethylamino)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 91698990
Ethyldiethanolamine bis(heptafluorobutyrate)
CID 91741522
(Butylazanediyl)bis(ethane-2,1-diyl) bis(2,2,3,3,4,4,4-heptafluorobutanoate)
CID 91742671
(Butylazanediyl)bis(ethane-2,1-diyl) bis(2,2,3,3,3-pentafluoropropanoate)
CID 91744928
4-Methylmorpholine;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 17843040

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-[butyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate (CID 91717616) is 2-[butyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-[butyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-[butyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate is CCCCN(CCOC(=O)C(F)(F)F)CCOC(=O)C(F)(F)F.
What is the InChIKey of 2-[butyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate?
The InChIKey is RXJJAADPTHEHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F6NO4/c1-2-3-4-19(5-7-22-9(20)11(13,14)15)6-8-23-10(21)12(16,17)18/h2-8H2,1H3.
What are the key properties of 2-[butyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate?
2-[butyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate has a molecular weight of 353.26 g/mol, XLogP of 2.30, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 91717616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).