propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate

C7H10F3NO3 — CID 529794

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

About propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate

propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate (PubChem CID 529794) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate
PubChem CID529794
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Namepropan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate
SMILESCC(C)OC(=O)CNC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-4(2)14-5(12)3-11-6(13)7(8,9)10/h4H,3H2,1-2H3,(H,11,13)
InChIKeyNMMHHNLBWAZRMW-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 propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
The IUPAC name of propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate (CID 529794) is propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate.
What is the SMILES notation for propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
The canonical SMILES for propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate is CC(C)OC(=O)CNC(=O)C(F)(F)F.
What is the InChIKey of propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
The InChIKey is NMMHHNLBWAZRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3/c1-4(2)14-5(12)3-11-6(13)7(8,9)10/h4H,3H2,1-2H3,(H,11,13).
What are the key properties of propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]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 propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]acetate is sourced from PubChem (CID 529794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).