tert-butyl 2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate

C10H16F3NO4 — CID 100668702

IUPACtert-butyl 2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate
SMILESCN(CC(=O)OC(C)(C)C)C(=O)OCC(F)(F)F
InChIInChI=1S/C10H16F3NO4/c1-9(2,3)18-7(15)5-14(4)8(16)17-6-10(11,12)13/h5-6H2,1-4H3
InChIKeyJVINAHPVWOUUOO-UHFFFAOYSA-N
MW271.24 g/mol
LogP1.96
Rot. Bonds3

About tert-butyl 2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate

tert-butyl 2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate (PubChem CID 100668702) has the molecular formula C10H16F3NO4 and a molecular weight of 271.24 g/mol. Its IUPAC name is tert-butyl 2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate
PubChem CID100668702
Molecular FormulaC10H16F3NO4
Molecular Weight271.24 g/mol
Exact Mass271.10
IUPAC Nametert-butyl 2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate
SMILESCN(CC(=O)OC(C)(C)C)C(=O)OCC(F)(F)F
InChIInChI=1S/C10H16F3NO4/c1-9(2,3)18-7(15)5-14(4)8(16)17-6-10(11,12)13/h5-6H2,1-4H3
InChIKeyJVINAHPVWOUUOO-UHFFFAOYSA-N
XLogP1.96
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate?
The IUPAC name of tert-butyl 2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate (CID 100668702) is tert-butyl 2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate is CN(CC(=O)OC(C)(C)C)C(=O)OCC(F)(F)F.
What is the InChIKey of tert-butyl 2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate?
The InChIKey is JVINAHPVWOUUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4/c1-9(2,3)18-7(15)5-14(4)8(16)17-6-10(11,12)13/h5-6H2,1-4H3.
What are the key properties of tert-butyl 2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate?
tert-butyl 2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate has a molecular weight of 271.24 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate is sourced from PubChem (CID 100668702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).