2,2,2-trifluoro-N-(3-methyl-3-azabicyclo[3.2.0]heptan-6-yl)acetamide

C9H13F3N2O — CID 171704381

IUPAC2,2,2-trifluoro-N-(3-methyl-3-azabicyclo[3.2.0]heptan-6-yl)acetamide
SMILESCN1CC2CC(NC(=O)C(F)(F)F)C2C1
InChIInChI=1S/C9H13F3N2O/c1-14-3-5-2-7(6(5)4-14)13-8(15)9(10,11)12/h5-7H,2-4H2,1H3,(H,13,15)
InChIKeyYYSBEXQUDKIJAY-UHFFFAOYSA-N
MW222.21 g/mol
LogP0.62
Rot. Bonds1

About 2,2,2-trifluoro-N-(3-methyl-3-azabicyclo[3.2.0]heptan-6-yl)acetamide

2,2,2-trifluoro-N-(3-methyl-3-azabicyclo[3.2.0]heptan-6-yl)acetamide (PubChem CID 171704381) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-methyl-3-azabicyclo[3.2.0]heptan-6-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-methyl-3-azabicyclo[3.2.0]heptan-6-yl)acetamide
PubChem CID171704381
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name2,2,2-trifluoro-N-(3-methyl-3-azabicyclo[3.2.0]heptan-6-yl)acetamide
SMILESCN1CC2CC(NC(=O)C(F)(F)F)C2C1
InChIInChI=1S/C9H13F3N2O/c1-14-3-5-2-7(6(5)4-14)13-8(15)9(10,11)12/h5-7H,2-4H2,1H3,(H,13,15)
InChIKeyYYSBEXQUDKIJAY-UHFFFAOYSA-N
XLogP0.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 50.62
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-(3-methyl-3-azabicyclo[3.2.0]heptan-6-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-methyl-3-azabicyclo[3.2.0]heptan-6-yl)acetamide (CID 171704381) is 2,2,2-trifluoro-N-(3-methyl-3-azabicyclo[3.2.0]heptan-6-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-methyl-3-azabicyclo[3.2.0]heptan-6-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-methyl-3-azabicyclo[3.2.0]heptan-6-yl)acetamide is CN1CC2CC(NC(=O)C(F)(F)F)C2C1.
What is the InChIKey of 2,2,2-trifluoro-N-(3-methyl-3-azabicyclo[3.2.0]heptan-6-yl)acetamide?
The InChIKey is YYSBEXQUDKIJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-14-3-5-2-7(6(5)4-14)13-8(15)9(10,11)12/h5-7H,2-4H2,1H3,(H,13,15).
What are the key properties of 2,2,2-trifluoro-N-(3-methyl-3-azabicyclo[3.2.0]heptan-6-yl)acetamide?
2,2,2-trifluoro-N-(3-methyl-3-azabicyclo[3.2.0]heptan-6-yl)acetamide has a molecular weight of 222.21 g/mol, XLogP of 0.62, 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-(3-methyl-3-azabicyclo[3.2.0]heptan-6-yl)acetamide is sourced from PubChem (CID 171704381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).