N-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide

C10H17F3N2O2 — CID 102611376

IUPACN-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)COC1(C)CNC1
InChIInChI=1S/C10H17F3N2O2/c1-3-15(7-10(11,12)13)8(16)4-17-9(2)5-14-6-9/h14H,3-7H2,1-2H3
InChIKeyFWFIXVPDYNMEJG-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.78
Rot. Bonds5

About N-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide

N-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 102611376) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID102611376
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)COC1(C)CNC1
InChIInChI=1S/C10H17F3N2O2/c1-3-15(7-10(11,12)13)8(16)4-17-9(2)5-14-6-9/h14H,3-7H2,1-2H3
InChIKeyFWFIXVPDYNMEJG-UHFFFAOYSA-N
XLogP0.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide (CID 102611376) is N-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide is CCN(CC(F)(F)F)C(=O)COC1(C)CNC1.
What is the InChIKey of N-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FWFIXVPDYNMEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-3-15(7-10(11,12)13)8(16)4-17-9(2)5-14-6-9/h14H,3-7H2,1-2H3.
What are the key properties of N-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide?
N-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 254.25 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 102611376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).