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

C7H11F3N2O — CID 14852470

IUPAC2,2,2-trifluoro-N-methyl-N-(2-methylazetidin-3-yl)acetamide
SMILESCC1NCC1N(C)C(=O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O/c1-4-5(3-11-4)12(2)6(13)7(8,9)10/h4-5,11H,3H2,1-2H3
InChIKeyQDHRPBJQIWWRBX-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.37
Rot. Bonds1

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

2,2,2-trifluoro-N-methyl-N-(2-methylazetidin-3-yl)acetamide (PubChem CID 14852470) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(2-methylazetidin-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(2-methylazetidin-3-yl)acetamide
PubChem CID14852470
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name2,2,2-trifluoro-N-methyl-N-(2-methylazetidin-3-yl)acetamide
SMILESCC1NCC1N(C)C(=O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O/c1-4-5(3-11-4)12(2)6(13)7(8,9)10/h4-5,11H,3H2,1-2H3
InChIKeyQDHRPBJQIWWRBX-UHFFFAOYSA-N
XLogP0.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(2-methylazetidin-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(2-methylazetidin-3-yl)acetamide (CID 14852470) is 2,2,2-trifluoro-N-methyl-N-(2-methylazetidin-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(2-methylazetidin-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(2-methylazetidin-3-yl)acetamide is CC1NCC1N(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(2-methylazetidin-3-yl)acetamide?
The InChIKey is QDHRPBJQIWWRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c1-4-5(3-11-4)12(2)6(13)7(8,9)10/h4-5,11H,3H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(2-methylazetidin-3-yl)acetamide?
2,2,2-trifluoro-N-methyl-N-(2-methylazetidin-3-yl)acetamide has a molecular weight of 196.17 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-(2-methylazetidin-3-yl)acetamide is sourced from PubChem (CID 14852470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).