[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] acetate

C7H10F3NO3 — CID 57139505

IUPAC[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] acetate
SMILESCC(=O)OC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-4(14-5(2)12)6(13)11-3-7(8,9)10/h4H,3H2,1-2H3,(H,11,13)
InChIKeyJTGWUVFLQTYLGT-UHFFFAOYSA-N
MW213.15 g/mol
LogP0.62
Rot. Bonds3

About [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] acetate

[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] acetate (PubChem CID 57139505) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] acetate.

Molecular Properties

Compound Name[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] acetate
PubChem CID57139505
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] acetate
SMILESCC(=O)OC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-4(14-5(2)12)6(13)11-3-7(8,9)10/h4H,3H2,1-2H3,(H,11,13)
InChIKeyJTGWUVFLQTYLGT-UHFFFAOYSA-N
XLogP0.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] acetate?
The IUPAC name of [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] acetate (CID 57139505) is [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] acetate.
What is the SMILES notation for [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] acetate?
The canonical SMILES for [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] acetate is CC(=O)OC(C)C(=O)NCC(F)(F)F.
What is the InChIKey of [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] acetate?
The InChIKey is JTGWUVFLQTYLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3/c1-4(14-5(2)12)6(13)11-3-7(8,9)10/h4H,3H2,1-2H3,(H,11,13).
What are the key properties of [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] acetate?
[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] acetate has a molecular weight of 213.15 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] acetate is sourced from PubChem (CID 57139505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).