2-[[2-(ethylamino)acetyl]amino]ethyl 2,2,2-trifluoroacetate

C8H13F3N2O3 — CID 87324565

IUPAC2-[[2-(ethylamino)acetyl]amino]ethyl 2,2,2-trifluoroacetate
SMILESCCNCC(=O)NCCOC(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O3/c1-2-12-5-6(14)13-3-4-16-7(15)8(9,10)11/h12H,2-5H2,1H3,(H,13,14)
InChIKeyBDAKAZQTNDDDRJ-UHFFFAOYSA-N
MW242.20 g/mol
LogP-0.18
Rot. Bonds6

About 2-[[2-(ethylamino)acetyl]amino]ethyl 2,2,2-trifluoroacetate

2-[[2-(ethylamino)acetyl]amino]ethyl 2,2,2-trifluoroacetate (PubChem CID 87324565) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-[[2-(ethylamino)acetyl]amino]ethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-[[2-(ethylamino)acetyl]amino]ethyl 2,2,2-trifluoroacetate
PubChem CID87324565
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Name2-[[2-(ethylamino)acetyl]amino]ethyl 2,2,2-trifluoroacetate
SMILESCCNCC(=O)NCCOC(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O3/c1-2-12-5-6(14)13-3-4-16-7(15)8(9,10)11/h12H,2-5H2,1H3,(H,13,14)
InChIKeyBDAKAZQTNDDDRJ-UHFFFAOYSA-N
XLogP-0.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)acetyl]amino]ethyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-[[2-(ethylamino)acetyl]amino]ethyl 2,2,2-trifluoroacetate (CID 87324565) is 2-[[2-(ethylamino)acetyl]amino]ethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-[[2-(ethylamino)acetyl]amino]ethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-[[2-(ethylamino)acetyl]amino]ethyl 2,2,2-trifluoroacetate is CCNCC(=O)NCCOC(=O)C(F)(F)F.
What is the InChIKey of 2-[[2-(ethylamino)acetyl]amino]ethyl 2,2,2-trifluoroacetate?
The InChIKey is BDAKAZQTNDDDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3/c1-2-12-5-6(14)13-3-4-16-7(15)8(9,10)11/h12H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-[[2-(ethylamino)acetyl]amino]ethyl 2,2,2-trifluoroacetate?
2-[[2-(ethylamino)acetyl]amino]ethyl 2,2,2-trifluoroacetate has a molecular weight of 242.20 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)acetyl]amino]ethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 87324565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).