3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide

C8H13F3N2O2 — CID 126782254

IUPAC3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
SMILESCOC1(C)CN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O2/c1-7(15-2)4-13(5-7)6(14)12-3-8(9,10)11/h3-5H2,1-2H3,(H,12,14)
InChIKeyBBQLBHXEZVCOGD-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.98
Rot. Bonds2

About 3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide

3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide (PubChem CID 126782254) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
PubChem CID126782254
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
SMILESCOC1(C)CN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O2/c1-7(15-2)4-13(5-7)6(14)12-3-8(9,10)11/h3-5H2,1-2H3,(H,12,14)
InChIKeyBBQLBHXEZVCOGD-UHFFFAOYSA-N
XLogP0.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide 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 3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide?
The IUPAC name of 3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide (CID 126782254) is 3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide?
The canonical SMILES for 3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide is COC1(C)CN(C(=O)NCC(F)(F)F)C1.
What is the InChIKey of 3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide?
The InChIKey is BBQLBHXEZVCOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c1-7(15-2)4-13(5-7)6(14)12-3-8(9,10)11/h3-5H2,1-2H3,(H,12,14).
What are the key properties of 3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide?
3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide has a molecular weight of 226.20 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide is sourced from PubChem (CID 126782254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).