methyl 2-methyl-2-(2,2,2-trifluoroethylamino)propanoate

C7H12F3NO2 — CID 60997980

IUPACmethyl 2-methyl-2-(2,2,2-trifluoroethylamino)propanoate
SMILESCOC(=O)C(C)(C)NCC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-6(2,5(12)13-3)11-4-7(8,9)10/h11H,4H2,1-3H3
InChIKeyGTTFZTIGJMHCRK-UHFFFAOYSA-N
MW199.17 g/mol
LogP1.09
Rot. Bonds3

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

methyl 2-methyl-2-(2,2,2-trifluoroethylamino)propanoate (PubChem CID 60997980) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is methyl 2-methyl-2-(2,2,2-trifluoroethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(2,2,2-trifluoroethylamino)propanoate
PubChem CID60997980
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Namemethyl 2-methyl-2-(2,2,2-trifluoroethylamino)propanoate
SMILESCOC(=O)C(C)(C)NCC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-6(2,5(12)13-3)11-4-7(8,9)10/h11H,4H2,1-3H3
InChIKeyGTTFZTIGJMHCRK-UHFFFAOYSA-N
XLogP1.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(2,2,2-trifluoroethylamino)propanoate?
The IUPAC name of methyl 2-methyl-2-(2,2,2-trifluoroethylamino)propanoate (CID 60997980) is methyl 2-methyl-2-(2,2,2-trifluoroethylamino)propanoate.
What is the SMILES notation for methyl 2-methyl-2-(2,2,2-trifluoroethylamino)propanoate?
The canonical SMILES for methyl 2-methyl-2-(2,2,2-trifluoroethylamino)propanoate is COC(=O)C(C)(C)NCC(F)(F)F.
What is the InChIKey of methyl 2-methyl-2-(2,2,2-trifluoroethylamino)propanoate?
The InChIKey is GTTFZTIGJMHCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-6(2,5(12)13-3)11-4-7(8,9)10/h11H,4H2,1-3H3.
What are the key properties of methyl 2-methyl-2-(2,2,2-trifluoroethylamino)propanoate?
methyl 2-methyl-2-(2,2,2-trifluoroethylamino)propanoate has a molecular weight of 199.17 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(2,2,2-trifluoroethylamino)propanoate is sourced from PubChem (CID 60997980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).