2,2,2-trifluoro-N-[1-(methoxymethyl)-2-pyridinylidene]acetamide

C9H9F3N2O2 — CID 59104649

IUPAC2,2,2-trifluoro-N-[1-(methoxymethyl)-2-pyridinylidene]acetamide
SMILESCOCn1cccc/c1=N\C(=O)C(F)(F)F
InChIInChI=1S/C9H9F3N2O2/c1-16-6-14-5-3-2-4-7(14)13-8(15)9(10,11)12/h2-5H,6H2,1H3/b13-7+
InChIKeyCVZQSYIWUHZOSE-NTUHNPAUSA-N
MW234.18 g/mol
LogP1.08
Rot. Bonds2

About 2,2,2-trifluoro-N-[1-(methoxymethyl)-2-pyridinylidene]acetamide

2,2,2-trifluoro-N-[1-(methoxymethyl)-2-pyridinylidene]acetamide (PubChem CID 59104649) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(methoxymethyl)-2-pyridinylidene]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(methoxymethyl)-2-pyridinylidene]acetamide
PubChem CID59104649
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name2,2,2-trifluoro-N-[1-(methoxymethyl)-2-pyridinylidene]acetamide
SMILESCOCn1cccc/c1=N\C(=O)C(F)(F)F
InChIInChI=1S/C9H9F3N2O2/c1-16-6-14-5-3-2-4-7(14)13-8(15)9(10,11)12/h2-5H,6H2,1H3/b13-7+
InChIKeyCVZQSYIWUHZOSE-NTUHNPAUSA-N
XLogP1.08
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Difluoromethyl)-2-(acetylimino)-5-bromo-1,2-dihydropyridine
CID 59216511
Pyridine, 2-acetylimino-1,2-dihydro-1-methyl-
CID 12496815
2,2,2-trifluoro-N-(1-methylpyridin-2-ylidene)acetamide
CID 10081614
3-Fluoro-4-methoxypyrido[1,2-a]pyrimidin-2-one
CID 14028557

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(methoxymethyl)-2-pyridinylidene]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(methoxymethyl)-2-pyridinylidene]acetamide (CID 59104649) is 2,2,2-trifluoro-N-[1-(methoxymethyl)-2-pyridinylidene]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(methoxymethyl)-2-pyridinylidene]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(methoxymethyl)-2-pyridinylidene]acetamide is COCn1cccc/c1=N\C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(methoxymethyl)-2-pyridinylidene]acetamide?
The InChIKey is CVZQSYIWUHZOSE-NTUHNPAUSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-16-6-14-5-3-2-4-7(14)13-8(15)9(10,11)12/h2-5H,6H2,1H3/b13-7+.
What are the key properties of 2,2,2-trifluoro-N-[1-(methoxymethyl)-2-pyridinylidene]acetamide?
2,2,2-trifluoro-N-[1-(methoxymethyl)-2-pyridinylidene]acetamide has a molecular weight of 234.18 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(methoxymethyl)-2-pyridinylidene]acetamide is sourced from PubChem (CID 59104649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).