methyl 2-[methyl(3,3,3-trifluoropropanoyl)amino]acetate

C7H10F3NO3 — CID 43431625

IUPACmethyl 2-[methyl(3,3,3-trifluoropropanoyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)CC(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-11(4-6(13)14-2)5(12)3-7(8,9)10/h3-4H2,1-2H3
InChIKeyTZYUWOZGMBXEIL-UHFFFAOYSA-N
MW213.15 g/mol
LogP0.57
Rot. Bonds3

About methyl 2-[methyl(3,3,3-trifluoropropanoyl)amino]acetate

methyl 2-[methyl(3,3,3-trifluoropropanoyl)amino]acetate (PubChem CID 43431625) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is methyl 2-[methyl(3,3,3-trifluoropropanoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl(3,3,3-trifluoropropanoyl)amino]acetate
PubChem CID43431625
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Namemethyl 2-[methyl(3,3,3-trifluoropropanoyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)CC(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-11(4-6(13)14-2)5(12)3-7(8,9)10/h3-4H2,1-2H3
InChIKeyTZYUWOZGMBXEIL-UHFFFAOYSA-N
XLogP0.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(3,3,3-trifluoropropanoyl)amino]acetate?
The IUPAC name of methyl 2-[methyl(3,3,3-trifluoropropanoyl)amino]acetate (CID 43431625) is methyl 2-[methyl(3,3,3-trifluoropropanoyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl(3,3,3-trifluoropropanoyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl(3,3,3-trifluoropropanoyl)amino]acetate is COC(=O)CN(C)C(=O)CC(F)(F)F.
What is the InChIKey of methyl 2-[methyl(3,3,3-trifluoropropanoyl)amino]acetate?
The InChIKey is TZYUWOZGMBXEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3/c1-11(4-6(13)14-2)5(12)3-7(8,9)10/h3-4H2,1-2H3.
What are the key properties of methyl 2-[methyl(3,3,3-trifluoropropanoyl)amino]acetate?
methyl 2-[methyl(3,3,3-trifluoropropanoyl)amino]acetate has a molecular weight of 213.15 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(3,3,3-trifluoropropanoyl)amino]acetate is sourced from PubChem (CID 43431625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).