2,2,2-trifluoro-N-(1-methyl-2-pyridinylidene)acetamide

C8H7F3N2O — CID 10081614

IUPAC2,2,2-trifluoro-N-(1-methyl-2-pyridinylidene)acetamide
SMILESCn1cccc/c1=N\C(=O)C(F)(F)F
InChIInChI=1S/C8H7F3N2O/c1-13-5-3-2-4-6(13)12-7(14)8(9,10)11/h2-5H,1H3/b12-6+
InChIKeyLJTQNDYJZLKSIU-WUXMJOGZSA-N
MW204.15 g/mol
LogP1.01
Rot. Bonds

About 2,2,2-trifluoro-N-(1-methyl-2-pyridinylidene)acetamide

2,2,2-trifluoro-N-(1-methyl-2-pyridinylidene)acetamide (PubChem CID 10081614) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-methyl-2-pyridinylidene)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-methyl-2-pyridinylidene)acetamide
PubChem CID10081614
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC Name2,2,2-trifluoro-N-(1-methyl-2-pyridinylidene)acetamide
SMILESCn1cccc/c1=N\C(=O)C(F)(F)F
InChIInChI=1S/C8H7F3N2O/c1-13-5-3-2-4-6(13)12-7(14)8(9,10)11/h2-5H,1H3/b12-6+
InChIKeyLJTQNDYJZLKSIU-WUXMJOGZSA-N
XLogP1.01
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Difluoromethyl)-2-(acetylimino)-5-bromo-1,2-dihydropyridine
CID 59216511
4-Trifluoromethylpyrido[1,2-a]-[1,3,5]triazin-2-one
CID 129751111
Pyridine, 2-acetylimino-1,2-dihydro-1-methyl-
CID 12496815
2,2,2-trifluoro-N-[1-(methoxymethyl)-2-pyridinylidene]acetamide
CID 59104649
4-Fluoropyrido[1,2-a]pyrimidin-2-one
CID 85661536
1-(5-Fluoro-2-methylimino-1-pyridinyl)ethanone
CID 123947388
N-(1,3,4-trifluoro-2-pyridinylidene)acetamide
CID 141624830
N-(1,3-difluoro-2-pyridinylidene)acetamide
CID 141691814
1-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-imine
CID 90654287
2-methyl-N-(1-methyl-2-pyridinylidene)propanamide
CID 131241260

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-methyl-2-pyridinylidene)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-methyl-2-pyridinylidene)acetamide (CID 10081614) is 2,2,2-trifluoro-N-(1-methyl-2-pyridinylidene)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-methyl-2-pyridinylidene)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-methyl-2-pyridinylidene)acetamide is Cn1cccc/c1=N\C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1-methyl-2-pyridinylidene)acetamide?
The InChIKey is LJTQNDYJZLKSIU-WUXMJOGZSA-N. The full InChI is InChI=1S/C8H7F3N2O/c1-13-5-3-2-4-6(13)12-7(14)8(9,10)11/h2-5H,1H3/b12-6+.
What are the key properties of 2,2,2-trifluoro-N-(1-methyl-2-pyridinylidene)acetamide?
2,2,2-trifluoro-N-(1-methyl-2-pyridinylidene)acetamide has a molecular weight of 204.15 g/mol, XLogP of 1.01, 0 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-(1-methyl-2-pyridinylidene)acetamide is sourced from PubChem (CID 10081614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).