[(E)-hex-4-en-3-yl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate

C11H16F3NO3 — CID 15223925

IUPAC[(E)-hex-4-en-3-yl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESC/C=C/C(CC)OC(=O)C(C)NC(=O)C(F)(F)F
InChIInChI=1S/C11H16F3NO3/c1-4-6-8(5-2)18-9(16)7(3)15-10(17)11(12,13)14/h4,6-8H,5H2,1-3H3,(H,15,17)/b6-4+
InChIKeyAHKQNFNCZKGPNG-GQCTYLIASA-N
MW267.25 g/mol
LogP1.95
Rot. Bonds5

About [(E)-hex-4-en-3-yl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate

[(E)-hex-4-en-3-yl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate (PubChem CID 15223925) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is [(E)-hex-4-en-3-yl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate.

Molecular Properties

Compound Name[(E)-hex-4-en-3-yl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate
PubChem CID15223925
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name[(E)-hex-4-en-3-yl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESC/C=C/C(CC)OC(=O)C(C)NC(=O)C(F)(F)F
InChIInChI=1S/C11H16F3NO3/c1-4-6-8(5-2)18-9(16)7(3)15-10(17)11(12,13)14/h4,6-8H,5H2,1-3H3,(H,15,17)/b6-4+
InChIKeyAHKQNFNCZKGPNG-GQCTYLIASA-N
XLogP1.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-hex-4-en-3-yl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The IUPAC name of [(E)-hex-4-en-3-yl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate (CID 15223925) is [(E)-hex-4-en-3-yl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate.
What is the SMILES notation for [(E)-hex-4-en-3-yl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The canonical SMILES for [(E)-hex-4-en-3-yl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate is C/C=C/C(CC)OC(=O)C(C)NC(=O)C(F)(F)F.
What is the InChIKey of [(E)-hex-4-en-3-yl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The InChIKey is AHKQNFNCZKGPNG-GQCTYLIASA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-4-6-8(5-2)18-9(16)7(3)15-10(17)11(12,13)14/h4,6-8H,5H2,1-3H3,(H,15,17)/b6-4+.
What are the key properties of [(E)-hex-4-en-3-yl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate?
[(E)-hex-4-en-3-yl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate has a molecular weight of 267.25 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-4-en-3-yl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate is sourced from PubChem (CID 15223925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).