methyl (2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetate

C11H10F3NO3 — CID 22831471

IUPACmethyl (2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetate
SMILESCOC(=O)[C@@H](NC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H10F3NO3/c1-18-9(16)8(7-5-3-2-4-6-7)15-10(17)11(12,13)14/h2-6,8H,1H3,(H,15,17)/t8-/m0/s1
InChIKeyUZPZHEHQDFPRST-QMMMGPOBSA-N
MW261.20 g/mol
LogP1.58
Rot. Bonds3

About methyl (2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetate

methyl (2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetate (PubChem CID 22831471) has the molecular formula C11H10F3NO3 and a molecular weight of 261.20 g/mol. Its IUPAC name is methyl (2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetate.

Molecular Properties

Compound Namemethyl (2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetate
PubChem CID22831471
Molecular FormulaC11H10F3NO3
Molecular Weight261.20 g/mol
Exact Mass261.06
IUPAC Namemethyl (2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetate
SMILESCOC(=O)[C@@H](NC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H10F3NO3/c1-18-9(16)8(7-5-3-2-4-6-7)15-10(17)11(12,13)14/h2-6,8H,1H3,(H,15,17)/t8-/m0/s1
InChIKeyUZPZHEHQDFPRST-QMMMGPOBSA-N
XLogP1.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetate?
The IUPAC name of methyl (2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetate (CID 22831471) is methyl (2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetate.
What is the SMILES notation for methyl (2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetate?
The canonical SMILES for methyl (2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetate is COC(=O)[C@@H](NC(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of methyl (2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetate?
The InChIKey is UZPZHEHQDFPRST-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H10F3NO3/c1-18-9(16)8(7-5-3-2-4-6-7)15-10(17)11(12,13)14/h2-6,8H,1H3,(H,15,17)/t8-/m0/s1.
What are the key properties of methyl (2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetate?
methyl (2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetate has a molecular weight of 261.20 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetate is sourced from PubChem (CID 22831471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).