2,2-dimethyl-N-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]propanamide

C13H17F3N2O2 — CID 68841205

IUPAC2,2-dimethyl-N-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(COCC(F)(F)F)cn1
InChIInChI=1S/C13H17F3N2O2/c1-12(2,3)11(19)18-10-5-4-9(6-17-10)7-20-8-13(14,15)16/h4-6H,7-8H2,1-3H3,(H,17,18,19)
InChIKeyKYOLRAJKSSQTGY-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.15
Rot. Bonds4

About 2,2-dimethyl-N-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]propanamide

2,2-dimethyl-N-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]propanamide (PubChem CID 68841205) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2,2-dimethyl-N-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]propanamide
PubChem CID68841205
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name2,2-dimethyl-N-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(COCC(F)(F)F)cn1
InChIInChI=1S/C13H17F3N2O2/c1-12(2,3)11(19)18-10-5-4-9(6-17-10)7-20-8-13(14,15)16/h4-6H,7-8H2,1-3H3,(H,17,18,19)
InChIKeyKYOLRAJKSSQTGY-UHFFFAOYSA-N
XLogP3.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]propanamide (CID 68841205) is 2,2-dimethyl-N-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]propanamide is CC(C)(C)C(=O)Nc1ccc(COCC(F)(F)F)cn1.
What is the InChIKey of 2,2-dimethyl-N-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]propanamide?
The InChIKey is KYOLRAJKSSQTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-12(2,3)11(19)18-10-5-4-9(6-17-10)7-20-8-13(14,15)16/h4-6H,7-8H2,1-3H3,(H,17,18,19).
What are the key properties of 2,2-dimethyl-N-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]propanamide?
2,2-dimethyl-N-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]propanamide has a molecular weight of 290.29 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 68841205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).