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

C12H21F3N2O2 — CID 102611401

IUPACN-butyl-2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)COC1(C)CNC1
InChIInChI=1S/C12H21F3N2O2/c1-3-4-5-17(9-12(13,14)15)10(18)6-19-11(2)7-16-8-11/h16H,3-9H2,1-2H3
InChIKeyTWTNWFRGSJPKDN-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.56
Rot. Bonds7

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

N-butyl-2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 102611401) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-butyl-2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID102611401
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN-butyl-2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)COC1(C)CNC1
InChIInChI=1S/C12H21F3N2O2/c1-3-4-5-17(9-12(13,14)15)10(18)6-19-11(2)7-16-8-11/h16H,3-9H2,1-2H3
InChIKeyTWTNWFRGSJPKDN-UHFFFAOYSA-N
XLogP1.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-butyl-2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide (CID 102611401) is N-butyl-2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-butyl-2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-butyl-2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide is CCCCN(CC(F)(F)F)C(=O)COC1(C)CNC1.
What is the InChIKey of N-butyl-2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is TWTNWFRGSJPKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-3-4-5-17(9-12(13,14)15)10(18)6-19-11(2)7-16-8-11/h16H,3-9H2,1-2H3.
What are the key properties of N-butyl-2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide?
N-butyl-2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 282.31 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-methylazetidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 102611401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).