ethyl 2-[[2-methyl-2-(2,2,2-trifluoroethylamino)propyl]amino]acetate

C10H19F3N2O2 — CID 129285081

IUPACethyl 2-[[2-methyl-2-(2,2,2-trifluoroethylamino)propyl]amino]acetate
SMILESCCOC(=O)CNCC(C)(C)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-4-17-8(16)5-14-6-9(2,3)15-7-10(11,12)13/h14-15H,4-7H2,1-3H3
InChIKeyIPOAGGNXEWMRSV-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.07
Rot. Bonds7

About ethyl 2-[[2-methyl-2-(2,2,2-trifluoroethylamino)propyl]amino]acetate

ethyl 2-[[2-methyl-2-(2,2,2-trifluoroethylamino)propyl]amino]acetate (PubChem CID 129285081) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is ethyl 2-[[2-methyl-2-(2,2,2-trifluoroethylamino)propyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-methyl-2-(2,2,2-trifluoroethylamino)propyl]amino]acetate
PubChem CID129285081
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Nameethyl 2-[[2-methyl-2-(2,2,2-trifluoroethylamino)propyl]amino]acetate
SMILESCCOC(=O)CNCC(C)(C)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-4-17-8(16)5-14-6-9(2,3)15-7-10(11,12)13/h14-15H,4-7H2,1-3H3
InChIKeyIPOAGGNXEWMRSV-UHFFFAOYSA-N
XLogP1.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-methyl-2-(2,2,2-trifluoroethylamino)propyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-methyl-2-(2,2,2-trifluoroethylamino)propyl]amino]acetate (CID 129285081) is ethyl 2-[[2-methyl-2-(2,2,2-trifluoroethylamino)propyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-methyl-2-(2,2,2-trifluoroethylamino)propyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-methyl-2-(2,2,2-trifluoroethylamino)propyl]amino]acetate is CCOC(=O)CNCC(C)(C)NCC(F)(F)F.
What is the InChIKey of ethyl 2-[[2-methyl-2-(2,2,2-trifluoroethylamino)propyl]amino]acetate?
The InChIKey is IPOAGGNXEWMRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-4-17-8(16)5-14-6-9(2,3)15-7-10(11,12)13/h14-15H,4-7H2,1-3H3.
What are the key properties of ethyl 2-[[2-methyl-2-(2,2,2-trifluoroethylamino)propyl]amino]acetate?
ethyl 2-[[2-methyl-2-(2,2,2-trifluoroethylamino)propyl]amino]acetate has a molecular weight of 256.27 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-methyl-2-(2,2,2-trifluoroethylamino)propyl]amino]acetate is sourced from PubChem (CID 129285081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).