2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(trifluoromethyl)pyridine

C11H12F3NO2 — CID 138975315

IUPAC2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(trifluoromethyl)pyridine
SMILESCC1(C)OCC(c2ccc(C(F)(F)F)cn2)O1
InChIInChI=1S/C11H12F3NO2/c1-10(2)16-6-9(17-10)8-4-3-7(5-15-8)11(12,13)14/h3-5,9H,6H2,1-2H3
InChIKeyVZRKZRHNSJSAIL-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.92
Rot. Bonds1

About 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(trifluoromethyl)pyridine

2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(trifluoromethyl)pyridine (PubChem CID 138975315) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(trifluoromethyl)pyridine
PubChem CID138975315
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(trifluoromethyl)pyridine
SMILESCC1(C)OCC(c2ccc(C(F)(F)F)cn2)O1
InChIInChI=1S/C11H12F3NO2/c1-10(2)16-6-9(17-10)8-4-3-7(5-15-8)11(12,13)14/h3-5,9H,6H2,1-2H3
InChIKeyVZRKZRHNSJSAIL-UHFFFAOYSA-N
XLogP2.92
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(trifluoromethyl)pyridine (CID 138975315) is 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(trifluoromethyl)pyridine is CC1(C)OCC(c2ccc(C(F)(F)F)cn2)O1.
What is the InChIKey of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(trifluoromethyl)pyridine?
The InChIKey is VZRKZRHNSJSAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-10(2)16-6-9(17-10)8-4-3-7(5-15-8)11(12,13)14/h3-5,9H,6H2,1-2H3.
What are the key properties of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(trifluoromethyl)pyridine?
2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 247.22 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 138975315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).