[(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

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Related Compounds

(2-methoxy-2-oxoethyl) 2-benzamidoacetate
CID 24647854
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202
methyl (E)-3-phenylpent-3-enoate
CID 10012736
ethyl (Z)-3-phenylpent-3-enoate
CID 134988020
3-phenyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]prop-2-enoic acid
CID 86246603
N-[2-(2-benzoylanilino)-2-oxoethyl]-2,2,2-trifluoroacetamide
CID 166070237
phenacyl 2-[(2-fluorobenzoyl)amino]acetate
CID 2357812
methyl 4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]benzoate
CID 177474866
ethyl 2-(1-phenylethenylamino)acetate
CID 142204564
CID 172688243
CID 172688243
benzyl 2-benzamidoacetate;ethane
CID 142836612
(2-hydroxy-2-methylpropyl) 2-benzamidoacetate
CID 134970204

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).