benzyl 2-[(2,2,2-trifluoroacetyl)amino]acetate

C11H10F3NO3 — CID 14583853

IUPACbenzyl 2-[(2,2,2-trifluoroacetyl)amino]acetate
SMILESO=C(CNC(=O)C(F)(F)F)OCc1ccccc1
InChIInChI=1S/C11H10F3NO3/c12-11(13,14)10(17)15-6-9(16)18-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,17)
InChIKeyURIVBXAHLFEQOB-UHFFFAOYSA-N
MW261.20 g/mol
LogP1.41
Rot. Bonds4

About benzyl 2-[(2,2,2-trifluoroacetyl)amino]acetate

benzyl 2-[(2,2,2-trifluoroacetyl)amino]acetate (PubChem CID 14583853) has the molecular formula C11H10F3NO3 and a molecular weight of 261.20 g/mol. Its IUPAC name is benzyl 2-[(2,2,2-trifluoroacetyl)amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[(2,2,2-trifluoroacetyl)amino]acetate
PubChem CID14583853
Molecular FormulaC11H10F3NO3
Molecular Weight261.20 g/mol
Exact Mass261.06
IUPAC Namebenzyl 2-[(2,2,2-trifluoroacetyl)amino]acetate
SMILESO=C(CNC(=O)C(F)(F)F)OCc1ccccc1
InChIInChI=1S/C11H10F3NO3/c12-11(13,14)10(17)15-6-9(16)18-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,17)
InChIKeyURIVBXAHLFEQOB-UHFFFAOYSA-N
XLogP1.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
The IUPAC name of benzyl 2-[(2,2,2-trifluoroacetyl)amino]acetate (CID 14583853) is benzyl 2-[(2,2,2-trifluoroacetyl)amino]acetate.
What is the SMILES notation for benzyl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
The canonical SMILES for benzyl 2-[(2,2,2-trifluoroacetyl)amino]acetate is O=C(CNC(=O)C(F)(F)F)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
The InChIKey is URIVBXAHLFEQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO3/c12-11(13,14)10(17)15-6-9(16)18-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,17).
What are the key properties of benzyl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
benzyl 2-[(2,2,2-trifluoroacetyl)amino]acetate has a molecular weight of 261.20 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(2,2,2-trifluoroacetyl)amino]acetate is sourced from PubChem (CID 14583853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).