tert-butyl 2-(2,2,2-trifluoroethylamino)acetate

C8H14F3NO2 — CID 60680127

IUPACtert-butyl 2-(2,2,2-trifluoroethylamino)acetate
SMILESCC(C)(C)OC(=O)CNCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-7(2,3)14-6(13)4-12-5-8(9,10)11/h12H,4-5H2,1-3H3
InChIKeySRTAWWMBAQECIZ-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.48
Rot. Bonds3

About tert-butyl 2-(2,2,2-trifluoroethylamino)acetate

tert-butyl 2-(2,2,2-trifluoroethylamino)acetate (PubChem CID 60680127) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is tert-butyl 2-(2,2,2-trifluoroethylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2,2,2-trifluoroethylamino)acetate
PubChem CID60680127
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Nametert-butyl 2-(2,2,2-trifluoroethylamino)acetate
SMILESCC(C)(C)OC(=O)CNCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-7(2,3)14-6(13)4-12-5-8(9,10)11/h12H,4-5H2,1-3H3
InChIKeySRTAWWMBAQECIZ-UHFFFAOYSA-N
XLogP1.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2,2,2-trifluoroethylamino)acetate?
The IUPAC name of tert-butyl 2-(2,2,2-trifluoroethylamino)acetate (CID 60680127) is tert-butyl 2-(2,2,2-trifluoroethylamino)acetate.
What is the SMILES notation for tert-butyl 2-(2,2,2-trifluoroethylamino)acetate?
The canonical SMILES for tert-butyl 2-(2,2,2-trifluoroethylamino)acetate is CC(C)(C)OC(=O)CNCC(F)(F)F.
What is the InChIKey of tert-butyl 2-(2,2,2-trifluoroethylamino)acetate?
The InChIKey is SRTAWWMBAQECIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-7(2,3)14-6(13)4-12-5-8(9,10)11/h12H,4-5H2,1-3H3.
What are the key properties of tert-butyl 2-(2,2,2-trifluoroethylamino)acetate?
tert-butyl 2-(2,2,2-trifluoroethylamino)acetate has a molecular weight of 213.20 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2,2,2-trifluoroethylamino)acetate is sourced from PubChem (CID 60680127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).