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

C8H9F6NO3 — CID 91721561

IUPAC2-[ethyl-(2,2,2-trifluoroacetyl)amino]ethyl 2,2,2-trifluoroacetate
SMILESCCN(CCOC(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C8H9F6NO3/c1-2-15(5(16)7(9,10)11)3-4-18-6(17)8(12,13)14/h2-4H2,1H3
InChIKeyFHHLPNZXENCIGZ-UHFFFAOYSA-N
MW281.15 g/mol
LogP1.50
Rot. Bonds4

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

2-[ethyl-(2,2,2-trifluoroacetyl)amino]ethyl 2,2,2-trifluoroacetate (PubChem CID 91721561) has the molecular formula C8H9F6NO3 and a molecular weight of 281.15 g/mol. Its IUPAC name is 2-[ethyl-(2,2,2-trifluoroacetyl)amino]ethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-[ethyl-(2,2,2-trifluoroacetyl)amino]ethyl 2,2,2-trifluoroacetate
PubChem CID91721561
Molecular FormulaC8H9F6NO3
Molecular Weight281.15 g/mol
Exact Mass281.05
IUPAC Name2-[ethyl-(2,2,2-trifluoroacetyl)amino]ethyl 2,2,2-trifluoroacetate
SMILESCCN(CCOC(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C8H9F6NO3/c1-2-15(5(16)7(9,10)11)3-4-18-6(17)8(12,13)14/h2-4H2,1H3
InChIKeyFHHLPNZXENCIGZ-UHFFFAOYSA-N
XLogP1.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2,2,2-trifluoroacetyl)amino]ethyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-[ethyl-(2,2,2-trifluoroacetyl)amino]ethyl 2,2,2-trifluoroacetate (CID 91721561) is 2-[ethyl-(2,2,2-trifluoroacetyl)amino]ethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-[ethyl-(2,2,2-trifluoroacetyl)amino]ethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-[ethyl-(2,2,2-trifluoroacetyl)amino]ethyl 2,2,2-trifluoroacetate is CCN(CCOC(=O)C(F)(F)F)C(=O)C(F)(F)F.
What is the InChIKey of 2-[ethyl-(2,2,2-trifluoroacetyl)amino]ethyl 2,2,2-trifluoroacetate?
The InChIKey is FHHLPNZXENCIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F6NO3/c1-2-15(5(16)7(9,10)11)3-4-18-6(17)8(12,13)14/h2-4H2,1H3.
What are the key properties of 2-[ethyl-(2,2,2-trifluoroacetyl)amino]ethyl 2,2,2-trifluoroacetate?
2-[ethyl-(2,2,2-trifluoroacetyl)amino]ethyl 2,2,2-trifluoroacetate has a molecular weight of 281.15 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2,2,2-trifluoroacetyl)amino]ethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 91721561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).