3-(thiolan-2-yl)-6-(trifluoromethyl)-1,2-dihydropyridine

C10H12F3NS — CID 162553950

IUPAC3-(thiolan-2-yl)-6-(trifluoromethyl)-1,2-dihydropyridine
SMILESFC(F)(F)C1=CC=C(C2CCCS2)CN1
InChIInChI=1S/C10H12F3NS/c11-10(12,13)9-4-3-7(6-14-9)8-2-1-5-15-8/h3-4,8,14H,1-2,5-6H2
InChIKeyOHAIRWLWTPAYAN-UHFFFAOYSA-N
MW235.27 g/mol
LogP2.86
Rot. Bonds1

About 3-(thiolan-2-yl)-6-(trifluoromethyl)-1,2-dihydropyridine

3-(thiolan-2-yl)-6-(trifluoromethyl)-1,2-dihydropyridine (PubChem CID 162553950) has the molecular formula C10H12F3NS and a molecular weight of 235.27 g/mol. Its IUPAC name is 3-(thiolan-2-yl)-6-(trifluoromethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name3-(thiolan-2-yl)-6-(trifluoromethyl)-1,2-dihydropyridine
PubChem CID162553950
Molecular FormulaC10H12F3NS
Molecular Weight235.27 g/mol
Exact Mass235.06
IUPAC Name3-(thiolan-2-yl)-6-(trifluoromethyl)-1,2-dihydropyridine
SMILESFC(F)(F)C1=CC=C(C2CCCS2)CN1
InChIInChI=1S/C10H12F3NS/c11-10(12,13)9-4-3-7(6-14-9)8-2-1-5-15-8/h3-4,8,14H,1-2,5-6H2
InChIKeyOHAIRWLWTPAYAN-UHFFFAOYSA-N
XLogP2.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(1,1-Difluoroethyl)-3-(methylsulfanylmethyl)-1,2-dihydropyridine
CID 122429864
5-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-3,4-dihydro-2H-1,4-thiazine
CID 147956089
[1-Oxo-2-[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]thiolan-1-ylidene]cyanamide
CID 163894243
2-(4-Fluorocyclohexa-1,3-dien-1-yl)-4-pentyl-2,3-dihydro-1,3-thiazole
CID 142972441

Frequently Asked Questions

What is the IUPAC name of 3-(thiolan-2-yl)-6-(trifluoromethyl)-1,2-dihydropyridine?
The IUPAC name of 3-(thiolan-2-yl)-6-(trifluoromethyl)-1,2-dihydropyridine (CID 162553950) is 3-(thiolan-2-yl)-6-(trifluoromethyl)-1,2-dihydropyridine.
What is the SMILES notation for 3-(thiolan-2-yl)-6-(trifluoromethyl)-1,2-dihydropyridine?
The canonical SMILES for 3-(thiolan-2-yl)-6-(trifluoromethyl)-1,2-dihydropyridine is FC(F)(F)C1=CC=C(C2CCCS2)CN1.
What is the InChIKey of 3-(thiolan-2-yl)-6-(trifluoromethyl)-1,2-dihydropyridine?
The InChIKey is OHAIRWLWTPAYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NS/c11-10(12,13)9-4-3-7(6-14-9)8-2-1-5-15-8/h3-4,8,14H,1-2,5-6H2.
What are the key properties of 3-(thiolan-2-yl)-6-(trifluoromethyl)-1,2-dihydropyridine?
3-(thiolan-2-yl)-6-(trifluoromethyl)-1,2-dihydropyridine has a molecular weight of 235.27 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiolan-2-yl)-6-(trifluoromethyl)-1,2-dihydropyridine is sourced from PubChem (CID 162553950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).