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

C10H13F6NO4 — CID 607729

IUPAC2-[ethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate
SMILESCCN(CCOC(=O)C(F)(F)F)CCOC(=O)C(F)(F)F
InChIInChI=1S/C10H13F6NO4/c1-2-17(3-5-20-7(18)9(11,12)13)4-6-21-8(19)10(14,15)16/h2-6H2,1H3
InChIKeyGTRBPAKMNXWFIJ-UHFFFAOYSA-N
MW325.21 g/mol
LogP1.52
Rot. Bonds7

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

2-[ethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate (PubChem CID 607729) has the molecular formula C10H13F6NO4 and a molecular weight of 325.21 g/mol. Its IUPAC name is 2-[ethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-[ethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate
PubChem CID607729
Molecular FormulaC10H13F6NO4
Molecular Weight325.21 g/mol
Exact Mass325.07
IUPAC Name2-[ethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate
SMILESCCN(CCOC(=O)C(F)(F)F)CCOC(=O)C(F)(F)F
InChIInChI=1S/C10H13F6NO4/c1-2-17(3-5-20-7(18)9(11,12)13)4-6-21-8(19)10(14,15)16/h2-6H2,1H3
InChIKeyGTRBPAKMNXWFIJ-UHFFFAOYSA-N
XLogP1.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-[ethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate (CID 607729) is 2-[ethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-[ethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-[ethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate is CCN(CCOC(=O)C(F)(F)F)CCOC(=O)C(F)(F)F.
What is the InChIKey of 2-[ethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate?
The InChIKey is GTRBPAKMNXWFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6NO4/c1-2-17(3-5-20-7(18)9(11,12)13)4-6-21-8(19)10(14,15)16/h2-6H2,1H3.
What are the key properties of 2-[ethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate?
2-[ethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate has a molecular weight of 325.21 g/mol, XLogP of 1.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 607729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).