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

C7H12ClF3N2O — CID 14852458

IUPAC2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide;hydrochloride
SMILESCC1(CNC(=O)C(F)(F)F)CNC1.Cl
InChIInChI=1S/C7H11F3N2O.ClH/c1-6(2-11-3-6)4-12-5(13)7(8,9)10;/h11H,2-4H2,1H3,(H,12,13);1H
InChIKeyVZRKFZDYXONYHR-UHFFFAOYSA-N
MW232.63 g/mol
LogP0.70
Rot. Bonds2

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

2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide;hydrochloride (PubChem CID 14852458) has the molecular formula C7H12ClF3N2O and a molecular weight of 232.63 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide;hydrochloride
PubChem CID14852458
Molecular FormulaC7H12ClF3N2O
Molecular Weight232.63 g/mol
Exact Mass232.06
IUPAC Name2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide;hydrochloride
SMILESCC1(CNC(=O)C(F)(F)F)CNC1.Cl
InChIInChI=1S/C7H11F3N2O.ClH/c1-6(2-11-3-6)4-12-5(13)7(8,9)10;/h11H,2-4H2,1H3,(H,12,13);1H
InChIKeyVZRKFZDYXONYHR-UHFFFAOYSA-N
XLogP0.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.63
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide;hydrochloride (CID 14852458) is 2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide;hydrochloride is CC1(CNC(=O)C(F)(F)F)CNC1.Cl.
What is the InChIKey of 2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide;hydrochloride?
The InChIKey is VZRKFZDYXONYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O.ClH/c1-6(2-11-3-6)4-12-5(13)7(8,9)10;/h11H,2-4H2,1H3,(H,12,13);1H.
What are the key properties of 2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide;hydrochloride?
2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide;hydrochloride has a molecular weight of 232.63 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 14852458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).