[(E)-2-phenylbut-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]acetate

C14H14F3NO3 — CID 53355401

IUPAC[(E)-2-phenylbut-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]acetate
SMILESC/C=C(/COC(=O)CNC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H14F3NO3/c1-2-10(11-6-4-3-5-7-11)9-21-12(19)8-18-13(20)14(15,16)17/h2-7H,8-9H2,1H3,(H,18,20)/b10-2-
InChIKeyFXWNILDTCGXIFD-SGAXSIHGSA-N
MW301.26 g/mol
LogP2.31
Rot. Bonds5

About [(E)-2-phenylbut-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]acetate

[(E)-2-phenylbut-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]acetate (PubChem CID 53355401) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is [(E)-2-phenylbut-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]acetate.

Molecular Properties

Compound Name[(E)-2-phenylbut-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]acetate
PubChem CID53355401
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name[(E)-2-phenylbut-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]acetate
SMILESC/C=C(/COC(=O)CNC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H14F3NO3/c1-2-10(11-6-4-3-5-7-11)9-21-12(19)8-18-13(20)14(15,16)17/h2-7H,8-9H2,1H3,(H,18,20)/b10-2-
InChIKeyFXWNILDTCGXIFD-SGAXSIHGSA-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

Analyze [(E)-2-phenylbut-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E)-2-phenylbut-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]acetate?
The IUPAC name of [(E)-2-phenylbut-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]acetate (CID 53355401) is [(E)-2-phenylbut-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]acetate.
What is the SMILES notation for [(E)-2-phenylbut-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]acetate?
The canonical SMILES for [(E)-2-phenylbut-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]acetate is C/C=C(/COC(=O)CNC(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of [(E)-2-phenylbut-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]acetate?
The InChIKey is FXWNILDTCGXIFD-SGAXSIHGSA-N. The full InChI is InChI=1S/C14H14F3NO3/c1-2-10(11-6-4-3-5-7-11)9-21-12(19)8-18-13(20)14(15,16)17/h2-7H,8-9H2,1H3,(H,18,20)/b10-2-.
What are the key properties of [(E)-2-phenylbut-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]acetate?
[(E)-2-phenylbut-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]acetate 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)-2-phenylbut-2-enyl] 2-[(2,2,2-trifluoroacetyl)amino]acetate is sourced from PubChem (CID 53355401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).