methyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate

C9H14F3NO3 — CID 60997520

IUPACmethyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate
SMILESCOC(=O)C(NCC(F)(F)F)C1CCOC1
InChIInChI=1S/C9H14F3NO3/c1-15-8(14)7(6-2-3-16-4-6)13-5-9(10,11)12/h6-7,13H,2-5H2,1H3
InChIKeyGIOMCQRGWWHCHO-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.72
Rot. Bonds4

About methyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate

methyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate (PubChem CID 60997520) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is methyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate
PubChem CID60997520
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Namemethyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate
SMILESCOC(=O)C(NCC(F)(F)F)C1CCOC1
InChIInChI=1S/C9H14F3NO3/c1-15-8(14)7(6-2-3-16-4-6)13-5-9(10,11)12/h6-7,13H,2-5H2,1H3
InChIKeyGIOMCQRGWWHCHO-UHFFFAOYSA-N
XLogP0.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate?
The IUPAC name of methyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate (CID 60997520) is methyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate.
What is the SMILES notation for methyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate?
The canonical SMILES for methyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate is COC(=O)C(NCC(F)(F)F)C1CCOC1.
What is the InChIKey of methyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate?
The InChIKey is GIOMCQRGWWHCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-15-8(14)7(6-2-3-16-4-6)13-5-9(10,11)12/h6-7,13H,2-5H2,1H3.
What are the key properties of methyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate?
methyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate has a molecular weight of 241.21 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetate is sourced from PubChem (CID 60997520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).