2-propan-2-yl-3-(2,2,2-trifluoroethylsulfanyl)pyridine

C10H12F3NS — CID 18741284

IUPAC2-propan-2-yl-3-(2,2,2-trifluoroethylsulfanyl)pyridine
SMILESCC(C)c1ncccc1SCC(F)(F)F
InChIInChI=1S/C10H12F3NS/c1-7(2)9-8(4-3-5-14-9)15-6-10(11,12)13/h3-5,7H,6H2,1-2H3
InChIKeyZKOSBVMLASEGQY-UHFFFAOYSA-N
MW235.27 g/mol
LogP3.86
Rot. Bonds3

About 2-propan-2-yl-3-(2,2,2-trifluoroethylsulfanyl)pyridine

2-propan-2-yl-3-(2,2,2-trifluoroethylsulfanyl)pyridine (PubChem CID 18741284) has the molecular formula C10H12F3NS and a molecular weight of 235.27 g/mol. Its IUPAC name is 2-propan-2-yl-3-(2,2,2-trifluoroethylsulfanyl)pyridine.

Molecular Properties

Compound Name2-propan-2-yl-3-(2,2,2-trifluoroethylsulfanyl)pyridine
PubChem CID18741284
Molecular FormulaC10H12F3NS
Molecular Weight235.27 g/mol
Exact Mass235.06
IUPAC Name2-propan-2-yl-3-(2,2,2-trifluoroethylsulfanyl)pyridine
SMILESCC(C)c1ncccc1SCC(F)(F)F
InChIInChI=1S/C10H12F3NS/c1-7(2)9-8(4-3-5-14-9)15-6-10(11,12)13/h3-5,7H,6H2,1-2H3
InChIKeyZKOSBVMLASEGQY-UHFFFAOYSA-N
XLogP3.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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[Methyl-oxo-[2-[6-(trifluoromethyl)pyridin-3-yl]propan-2-yl]-lambda6-sulfanylidene]cyanamide
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2-[2-(4-Tert-butylphenyl)sulfanylethyl]pyridine
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2-(3-Thienyl)pyridine
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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3-(2,2,2-trifluoroethylsulfanyl)pyridine?
The IUPAC name of 2-propan-2-yl-3-(2,2,2-trifluoroethylsulfanyl)pyridine (CID 18741284) is 2-propan-2-yl-3-(2,2,2-trifluoroethylsulfanyl)pyridine.
What is the SMILES notation for 2-propan-2-yl-3-(2,2,2-trifluoroethylsulfanyl)pyridine?
The canonical SMILES for 2-propan-2-yl-3-(2,2,2-trifluoroethylsulfanyl)pyridine is CC(C)c1ncccc1SCC(F)(F)F.
What is the InChIKey of 2-propan-2-yl-3-(2,2,2-trifluoroethylsulfanyl)pyridine?
The InChIKey is ZKOSBVMLASEGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NS/c1-7(2)9-8(4-3-5-14-9)15-6-10(11,12)13/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-propan-2-yl-3-(2,2,2-trifluoroethylsulfanyl)pyridine?
2-propan-2-yl-3-(2,2,2-trifluoroethylsulfanyl)pyridine has a molecular weight of 235.27 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3-(2,2,2-trifluoroethylsulfanyl)pyridine is sourced from PubChem (CID 18741284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).