2,2,2-trifluoro-N-methyl-N-pyridin-4-ylacetamide

C8H7F3N2O — CID 106937610

IUPAC2,2,2-trifluoro-N-methyl-N-pyridin-4-ylacetamide
SMILESCN(C(=O)C(F)(F)F)c1ccncc1
InChIInChI=1S/C8H7F3N2O/c1-13(7(14)8(9,10)11)6-2-4-12-5-3-6/h2-5H,1H3
InChIKeyBAEVFDUKFKUYKS-UHFFFAOYSA-N
MW204.15 g/mol
LogP1.61
Rot. Bonds1

About 2,2,2-trifluoro-N-methyl-N-pyridin-4-ylacetamide

2,2,2-trifluoro-N-methyl-N-pyridin-4-ylacetamide (PubChem CID 106937610) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-pyridin-4-ylacetamide
PubChem CID106937610
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC Name2,2,2-trifluoro-N-methyl-N-pyridin-4-ylacetamide
SMILESCN(C(=O)C(F)(F)F)c1ccncc1
InChIInChI=1S/C8H7F3N2O/c1-13(7(14)8(9,10)11)6-2-4-12-5-3-6/h2-5H,1H3
InChIKeyBAEVFDUKFKUYKS-UHFFFAOYSA-N
XLogP1.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Dimethylamino)pyridine
CID 14284
N-Pyridin-4-ylacetamide
CID 21288
4-Pyrrolidinopyridine
CID 75567
4-(2,2,2-Trimethylacetamido)pyridine
CID 427059
2-cyano-N-(pyridin-4-yl)acetamide
CID 2806410
1,3'-bipyridinium, 1'-(3-(dimethylamino)propyl)-6'-hydroxy-4'-methyl-2'-oxo-, inner salt
CID 14669967
N-[3-(dimethylamino)propyl]-N-(pyridin-2-ylmethyl)acetamide
CID 1921168
2,5-Pyrrolidinedione, 1-(4-pyridinyl)-
CID 12701049
1-(4-Pyridyl)-1H-pyrrole-2,5-dione
CID 18870983
2,2,2-trifluoro-N-(2-(4-pyridyl)ethyl)acetamide
CID 735061
Pyridinium, 4-(dimethylamino)-1-methyl-, iodide (1:1)
CID 202125
4-Piperidinopyridine
CID 76002

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-pyridin-4-ylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-pyridin-4-ylacetamide (CID 106937610) is 2,2,2-trifluoro-N-methyl-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-pyridin-4-ylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-pyridin-4-ylacetamide is CN(C(=O)C(F)(F)F)c1ccncc1.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-pyridin-4-ylacetamide?
The InChIKey is BAEVFDUKFKUYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c1-13(7(14)8(9,10)11)6-2-4-12-5-3-6/h2-5H,1H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-pyridin-4-ylacetamide?
2,2,2-trifluoro-N-methyl-N-pyridin-4-ylacetamide has a molecular weight of 204.15 g/mol, XLogP of 1.61, 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-pyridin-4-ylacetamide is sourced from PubChem (CID 106937610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).