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

C6H9F3N2O — CID 21112014

IUPAC2,2,2-trifluoro-N-(2-methylazetidin-3-yl)acetamide
SMILESCC1NCC1NC(=O)C(F)(F)F
InChIInChI=1S/C6H9F3N2O/c1-3-4(2-10-3)11-5(12)6(7,8)9/h3-4,10H,2H2,1H3,(H,11,12)
InChIKeyLOHMOYDNSULEAJ-UHFFFAOYSA-N
MW182.14 g/mol
LogP0.03
Rot. Bonds1

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

2,2,2-trifluoro-N-(2-methylazetidin-3-yl)acetamide (PubChem CID 21112014) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methylazetidin-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methylazetidin-3-yl)acetamide
PubChem CID21112014
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC Name2,2,2-trifluoro-N-(2-methylazetidin-3-yl)acetamide
SMILESCC1NCC1NC(=O)C(F)(F)F
InChIInChI=1S/C6H9F3N2O/c1-3-4(2-10-3)11-5(12)6(7,8)9/h3-4,10H,2H2,1H3,(H,11,12)
InChIKeyLOHMOYDNSULEAJ-UHFFFAOYSA-N
XLogP0.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 50.03
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-(2-methylazetidin-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-methylazetidin-3-yl)acetamide (CID 21112014) is 2,2,2-trifluoro-N-(2-methylazetidin-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methylazetidin-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methylazetidin-3-yl)acetamide is CC1NCC1NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methylazetidin-3-yl)acetamide?
The InChIKey is LOHMOYDNSULEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O/c1-3-4(2-10-3)11-5(12)6(7,8)9/h3-4,10H,2H2,1H3,(H,11,12).
What are the key properties of 2,2,2-trifluoro-N-(2-methylazetidin-3-yl)acetamide?
2,2,2-trifluoro-N-(2-methylazetidin-3-yl)acetamide has a molecular weight of 182.14 g/mol, XLogP of 0.03, 1 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-(2-methylazetidin-3-yl)acetamide is sourced from PubChem (CID 21112014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).