2,2,2-trifluoro-N-methyl-N-(4-oxocyclohexyl)acetamide

C9H12F3NO2 — CID 79119811

IUPAC2,2,2-trifluoro-N-methyl-N-(4-oxocyclohexyl)acetamide
SMILESCN(C(=O)C(F)(F)F)C1CCC(=O)CC1
InChIInChI=1S/C9H12F3NO2/c1-13(8(15)9(10,11)12)6-2-4-7(14)5-3-6/h6H,2-5H2,1H3
InChIKeyPGNVBHPIEXHAHM-UHFFFAOYSA-N
MW223.19 g/mol
LogP1.52
Rot. Bonds1

About 2,2,2-trifluoro-N-methyl-N-(4-oxocyclohexyl)acetamide

2,2,2-trifluoro-N-methyl-N-(4-oxocyclohexyl)acetamide (PubChem CID 79119811) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(4-oxocyclohexyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(4-oxocyclohexyl)acetamide
PubChem CID79119811
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC Name2,2,2-trifluoro-N-methyl-N-(4-oxocyclohexyl)acetamide
SMILESCN(C(=O)C(F)(F)F)C1CCC(=O)CC1
InChIInChI=1S/C9H12F3NO2/c1-13(8(15)9(10,11)12)6-2-4-7(14)5-3-6/h6H,2-5H2,1H3
InChIKeyPGNVBHPIEXHAHM-UHFFFAOYSA-N
XLogP1.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(4-oxocyclohexyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(4-oxocyclohexyl)acetamide (CID 79119811) is 2,2,2-trifluoro-N-methyl-N-(4-oxocyclohexyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(4-oxocyclohexyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(4-oxocyclohexyl)acetamide is CN(C(=O)C(F)(F)F)C1CCC(=O)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(4-oxocyclohexyl)acetamide?
The InChIKey is PGNVBHPIEXHAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2/c1-13(8(15)9(10,11)12)6-2-4-7(14)5-3-6/h6H,2-5H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(4-oxocyclohexyl)acetamide?
2,2,2-trifluoro-N-methyl-N-(4-oxocyclohexyl)acetamide has a molecular weight of 223.19 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-(4-oxocyclohexyl)acetamide is sourced from PubChem (CID 79119811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).