methyl 2-(2,2,2-trifluoroethylamino)acetate

C5H8F3NO2 — CID 28596013

IUPACmethyl 2-(2,2,2-trifluoroethylamino)acetate
SMILESCOC(=O)CNCC(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-11-4(10)2-9-3-5(6,7)8/h9H,2-3H2,1H3
InChIKeyMGVKXMPIGPKWQZ-UHFFFAOYSA-N
MW171.12 g/mol
LogP0.31
Rot. Bonds3

About methyl 2-(2,2,2-trifluoroethylamino)acetate

methyl 2-(2,2,2-trifluoroethylamino)acetate (PubChem CID 28596013) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is methyl 2-(2,2,2-trifluoroethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2,2,2-trifluoroethylamino)acetate
PubChem CID28596013
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Namemethyl 2-(2,2,2-trifluoroethylamino)acetate
SMILESCOC(=O)CNCC(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-11-4(10)2-9-3-5(6,7)8/h9H,2-3H2,1H3
InChIKeyMGVKXMPIGPKWQZ-UHFFFAOYSA-N
XLogP0.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2,2-trifluoroethylamino)acetate?
The IUPAC name of methyl 2-(2,2,2-trifluoroethylamino)acetate (CID 28596013) is methyl 2-(2,2,2-trifluoroethylamino)acetate.
What is the SMILES notation for methyl 2-(2,2,2-trifluoroethylamino)acetate?
The canonical SMILES for methyl 2-(2,2,2-trifluoroethylamino)acetate is COC(=O)CNCC(F)(F)F.
What is the InChIKey of methyl 2-(2,2,2-trifluoroethylamino)acetate?
The InChIKey is MGVKXMPIGPKWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c1-11-4(10)2-9-3-5(6,7)8/h9H,2-3H2,1H3.
What are the key properties of methyl 2-(2,2,2-trifluoroethylamino)acetate?
methyl 2-(2,2,2-trifluoroethylamino)acetate has a molecular weight of 171.12 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2,2-trifluoroethylamino)acetate is sourced from PubChem (CID 28596013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).