2-methoxy-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C7H12F3NO3 — CID 177124226

IUPAC2-methoxy-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCOCC(=O)N(C)CC(O)C(F)(F)F
InChIInChI=1S/C7H12F3NO3/c1-11(6(13)4-14-2)3-5(12)7(8,9)10/h5,12H,3-4H2,1-2H3
InChIKeyILPUMUAODUOBBW-UHFFFAOYSA-N
MW215.17 g/mol
LogP0.01
Rot. Bonds4

About 2-methoxy-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-methoxy-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 177124226) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID177124226
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Name2-methoxy-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCOCC(=O)N(C)CC(O)C(F)(F)F
InChIInChI=1S/C7H12F3NO3/c1-11(6(13)4-14-2)3-5(12)7(8,9)10/h5,12H,3-4H2,1-2H3
InChIKeyILPUMUAODUOBBW-UHFFFAOYSA-N
XLogP0.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide 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 2-methoxy-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-methoxy-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 177124226) is 2-methoxy-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-methoxy-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-methoxy-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is COCC(=O)N(C)CC(O)C(F)(F)F.
What is the InChIKey of 2-methoxy-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is ILPUMUAODUOBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3/c1-11(6(13)4-14-2)3-5(12)7(8,9)10/h5,12H,3-4H2,1-2H3.
What are the key properties of 2-methoxy-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-methoxy-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 215.17 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 177124226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).