N-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide

C9H15F3N2O — CID 10059493

IUPACN-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide
SMILESCCN(CC1(C)CNC1)C(=O)C(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-3-14(7(15)9(10,11)12)6-8(2)4-13-5-8/h13H,3-6H2,1-2H3
InChIKeyQGPSKSAXYIMUPK-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.01
Rot. Bonds3

About N-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide

N-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide (PubChem CID 10059493) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide
PubChem CID10059493
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC NameN-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide
SMILESCCN(CC1(C)CNC1)C(=O)C(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-3-14(7(15)9(10,11)12)6-8(2)4-13-5-8/h13H,3-6H2,1-2H3
InChIKeyQGPSKSAXYIMUPK-UHFFFAOYSA-N
XLogP1.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide (CID 10059493) is N-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide is CCN(CC1(C)CNC1)C(=O)C(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide?
The InChIKey is QGPSKSAXYIMUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-3-14(7(15)9(10,11)12)6-8(2)4-13-5-8/h13H,3-6H2,1-2H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide?
N-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide has a molecular weight of 224.23 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide is sourced from PubChem (CID 10059493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).