5-(methylsulfanylmethyl)-2-(trifluoromethyl)-2,3-dihydropyridine

C8H10F3NS — CID 129196001

IUPAC5-(methylsulfanylmethyl)-2-(trifluoromethyl)-2,3-dihydropyridine
SMILESCSCC1=CCC(C(F)(F)F)N=C1
InChIInChI=1S/C8H10F3NS/c1-13-5-6-2-3-7(12-4-6)8(9,10)11/h2,4,7H,3,5H2,1H3
InChIKeyLSUIZFDLNZAIIV-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.68
Rot. Bonds2

About 5-(methylsulfanylmethyl)-2-(trifluoromethyl)-2,3-dihydropyridine

5-(methylsulfanylmethyl)-2-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 129196001) has the molecular formula C8H10F3NS and a molecular weight of 209.24 g/mol. Its IUPAC name is 5-(methylsulfanylmethyl)-2-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name5-(methylsulfanylmethyl)-2-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID129196001
Molecular FormulaC8H10F3NS
Molecular Weight209.24 g/mol
Exact Mass209.05
IUPAC Name5-(methylsulfanylmethyl)-2-(trifluoromethyl)-2,3-dihydropyridine
SMILESCSCC1=CCC(C(F)(F)F)N=C1
InChIInChI=1S/C8H10F3NS/c1-13-5-6-2-3-7(12-4-6)8(9,10)11/h2,4,7H,3,5H2,1H3
InChIKeyLSUIZFDLNZAIIV-UHFFFAOYSA-N
XLogP2.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfanylmethyl)-2-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 5-(methylsulfanylmethyl)-2-(trifluoromethyl)-2,3-dihydropyridine (CID 129196001) is 5-(methylsulfanylmethyl)-2-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 5-(methylsulfanylmethyl)-2-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 5-(methylsulfanylmethyl)-2-(trifluoromethyl)-2,3-dihydropyridine is CSCC1=CCC(C(F)(F)F)N=C1.
What is the InChIKey of 5-(methylsulfanylmethyl)-2-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is LSUIZFDLNZAIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NS/c1-13-5-6-2-3-7(12-4-6)8(9,10)11/h2,4,7H,3,5H2,1H3.
What are the key properties of 5-(methylsulfanylmethyl)-2-(trifluoromethyl)-2,3-dihydropyridine?
5-(methylsulfanylmethyl)-2-(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 209.24 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylsulfanylmethyl)-2-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 129196001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).