2,2,2-trifluoro-N-(4-methoxy-2-methyl-3-pyridinyl)acetamide

C9H9F3N2O2 — CID 135037972

IUPAC2,2,2-trifluoro-N-(4-methoxy-2-methyl-3-pyridinyl)acetamide
SMILESCOc1ccnc(C)c1NC(=O)C(F)(F)F
InChIInChI=1S/C9H9F3N2O2/c1-5-7(6(16-2)3-4-13-5)14-8(15)9(10,11)12/h3-4H,1-2H3,(H,14,15)
InChIKeyRVOKWHOVBIFVJE-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.90
Rot. Bonds2

About 2,2,2-trifluoro-N-(4-methoxy-2-methyl-3-pyridinyl)acetamide

2,2,2-trifluoro-N-(4-methoxy-2-methyl-3-pyridinyl)acetamide (PubChem CID 135037972) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-methoxy-2-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-methoxy-2-methyl-3-pyridinyl)acetamide
PubChem CID135037972
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name2,2,2-trifluoro-N-(4-methoxy-2-methyl-3-pyridinyl)acetamide
SMILESCOc1ccnc(C)c1NC(=O)C(F)(F)F
InChIInChI=1S/C9H9F3N2O2/c1-5-7(6(16-2)3-4-13-5)14-8(15)9(10,11)12/h3-4H,1-2H3,(H,14,15)
InChIKeyRVOKWHOVBIFVJE-UHFFFAOYSA-N
XLogP1.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-methoxy-2-methyl-3-pyridinyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-methoxy-2-methyl-3-pyridinyl)acetamide (CID 135037972) is 2,2,2-trifluoro-N-(4-methoxy-2-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-methoxy-2-methyl-3-pyridinyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-methoxy-2-methyl-3-pyridinyl)acetamide is COc1ccnc(C)c1NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(4-methoxy-2-methyl-3-pyridinyl)acetamide?
The InChIKey is RVOKWHOVBIFVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-5-7(6(16-2)3-4-13-5)14-8(15)9(10,11)12/h3-4H,1-2H3,(H,14,15).
What are the key properties of 2,2,2-trifluoro-N-(4-methoxy-2-methyl-3-pyridinyl)acetamide?
2,2,2-trifluoro-N-(4-methoxy-2-methyl-3-pyridinyl)acetamide has a molecular weight of 234.18 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-methoxy-2-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 135037972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).