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

C11H15F6NO4 — CID 163288859

IUPAC2-[propyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate
SMILESCCCN(CCOC(=O)C(F)(F)F)CCOC(=O)C(F)(F)F
InChIInChI=1S/C11H15F6NO4/c1-2-3-18(4-6-21-8(19)10(12,13)14)5-7-22-9(20)11(15,16)17/h2-7H2,1H3
InChIKeyMBUBZNCNLLBEHS-UHFFFAOYSA-N
MW339.23 g/mol
LogP1.91
Rot. Bonds8

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

2-[propyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate (PubChem CID 163288859) has the molecular formula C11H15F6NO4 and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-[propyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-[propyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate
PubChem CID163288859
Molecular FormulaC11H15F6NO4
Molecular Weight339.23 g/mol
Exact Mass339.09
IUPAC Name2-[propyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate
SMILESCCCN(CCOC(=O)C(F)(F)F)CCOC(=O)C(F)(F)F
InChIInChI=1S/C11H15F6NO4/c1-2-3-18(4-6-21-8(19)10(12,13)14)5-7-22-9(20)11(15,16)17/h2-7H2,1H3
InChIKeyMBUBZNCNLLBEHS-UHFFFAOYSA-N
XLogP1.91
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[propyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-[propyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate (CID 163288859) is 2-[propyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-[propyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-[propyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate is CCCN(CCOC(=O)C(F)(F)F)CCOC(=O)C(F)(F)F.
What is the InChIKey of 2-[propyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate?
The InChIKey is MBUBZNCNLLBEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F6NO4/c1-2-3-18(4-6-21-8(19)10(12,13)14)5-7-22-9(20)11(15,16)17/h2-7H2,1H3.
What are the key properties of 2-[propyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate?
2-[propyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate has a molecular weight of 339.23 g/mol, XLogP of 1.91, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 163288859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).