[(E)-3-phenylprop-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate

C14H14F3NO3 — CID 10902680

IUPAC[(E)-3-phenylprop-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESCC(NC(=O)C(F)(F)F)C(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C14H14F3NO3/c1-10(18-13(20)14(15,16)17)12(19)21-9-5-8-11-6-3-2-4-7-11/h2-8,10H,9H2,1H3,(H,18,20)/b8-5+
InChIKeyVZFQGZKSYLMSDX-VMPITWQZSA-N
MW301.26 g/mol
LogP2.31
Rot. Bonds5

About [(E)-3-phenylprop-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate

[(E)-3-phenylprop-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate (PubChem CID 10902680) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate
PubChem CID10902680
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name[(E)-3-phenylprop-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESCC(NC(=O)C(F)(F)F)C(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C14H14F3NO3/c1-10(18-13(20)14(15,16)17)12(19)21-9-5-8-11-6-3-2-4-7-11/h2-8,10H,9H2,1H3,(H,18,20)/b8-5+
InChIKeyVZFQGZKSYLMSDX-VMPITWQZSA-N
XLogP2.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate (CID 10902680) is [(E)-3-phenylprop-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate is CC(NC(=O)C(F)(F)F)C(=O)OC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The InChIKey is VZFQGZKSYLMSDX-VMPITWQZSA-N. The full InChI is InChI=1S/C14H14F3NO3/c1-10(18-13(20)14(15,16)17)12(19)21-9-5-8-11-6-3-2-4-7-11/h2-8,10H,9H2,1H3,(H,18,20)/b8-5+.
What are the key properties of [(E)-3-phenylprop-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate?
[(E)-3-phenylprop-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate has a molecular weight of 301.26 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]propanoate is sourced from PubChem (CID 10902680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).