N-methyl-2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoropropyl)acetamide

C10H17F3N2O2 — CID 102611517

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

About N-methyl-2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoropropyl)acetamide

N-methyl-2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoropropyl)acetamide (PubChem CID 102611517) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-methyl-2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoropropyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoropropyl)acetamide
PubChem CID102611517
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-methyl-2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoropropyl)acetamide
SMILESCN(CCC(F)(F)F)C(=O)COC1(C)CNC1
InChIInChI=1S/C10H17F3N2O2/c1-9(6-14-7-9)17-5-8(16)15(2)4-3-10(11,12)13/h14H,3-7H2,1-2H3
InChIKeyVQCYOJBIFUGFIC-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-methyl-2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoropropyl)acetamide?
The IUPAC name of N-methyl-2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoropropyl)acetamide (CID 102611517) is N-methyl-2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoropropyl)acetamide.
What is the SMILES notation for N-methyl-2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoropropyl)acetamide?
The canonical SMILES for N-methyl-2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoropropyl)acetamide is CN(CCC(F)(F)F)C(=O)COC1(C)CNC1.
What is the InChIKey of N-methyl-2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoropropyl)acetamide?
The InChIKey is VQCYOJBIFUGFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-9(6-14-7-9)17-5-8(16)15(2)4-3-10(11,12)13/h14H,3-7H2,1-2H3.
What are the key properties of N-methyl-2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoropropyl)acetamide?
N-methyl-2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoropropyl)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-methyl-2-(3-methylazetidin-3-yl)oxy-N-(3,3,3-trifluoropropyl)acetamide is sourced from PubChem (CID 102611517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).