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

C10H13F6NO5 — CID 91717610

IUPAC2-[2-hydroxyethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate
SMILESO=C(OCCN(CCO)CCOC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6NO5/c11-9(12,13)7(19)21-5-2-17(1-4-18)3-6-22-8(20)10(14,15)16/h18H,1-6H2
InChIKeyJOGYYXONGISBQT-UHFFFAOYSA-N
MW341.20 g/mol
LogP0.49
Rot. Bonds8

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

2-[2-hydroxyethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate (PubChem CID 91717610) has the molecular formula C10H13F6NO5 and a molecular weight of 341.20 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate
PubChem CID91717610
Molecular FormulaC10H13F6NO5
Molecular Weight341.20 g/mol
Exact Mass341.07
IUPAC Name2-[2-hydroxyethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate
SMILESO=C(OCCN(CCO)CCOC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6NO5/c11-9(12,13)7(19)21-5-2-17(1-4-18)3-6-22-8(20)10(14,15)16/h18H,1-6H2
InChIKeyJOGYYXONGISBQT-UHFFFAOYSA-N
XLogP0.49
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-[2-hydroxyethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate (CID 91717610) is 2-[2-hydroxyethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-[2-hydroxyethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-[2-hydroxyethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate is O=C(OCCN(CCO)CCOC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[2-hydroxyethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate?
The InChIKey is JOGYYXONGISBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6NO5/c11-9(12,13)7(19)21-5-2-17(1-4-18)3-6-22-8(20)10(14,15)16/h18H,1-6H2.
What are the key properties of 2-[2-hydroxyethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate?
2-[2-hydroxyethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate has a molecular weight of 341.20 g/mol, XLogP of 0.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]amino]ethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 91717610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).