4-[4-(trifluoromethylsulfanyl)phenyl]-2,3-dihydropyridine

C12H10F3NS — CID 154037678

IUPAC4-[4-(trifluoromethylsulfanyl)phenyl]-2,3-dihydropyridine
SMILESFC(F)(F)Sc1ccc(C2=CC=NCC2)cc1
InChIInChI=1S/C12H10F3NS/c13-12(14,15)17-11-3-1-9(2-4-11)10-5-7-16-8-6-10/h1-5,7H,6,8H2
InChIKeyNQPZXDBVTJFYIQ-UHFFFAOYSA-N
MW257.28 g/mol
LogP4.16
Rot. Bonds2

About 4-[4-(trifluoromethylsulfanyl)phenyl]-2,3-dihydropyridine

4-[4-(trifluoromethylsulfanyl)phenyl]-2,3-dihydropyridine (PubChem CID 154037678) has the molecular formula C12H10F3NS and a molecular weight of 257.28 g/mol. Its IUPAC name is 4-[4-(trifluoromethylsulfanyl)phenyl]-2,3-dihydropyridine.

Molecular Properties

Compound Name4-[4-(trifluoromethylsulfanyl)phenyl]-2,3-dihydropyridine
PubChem CID154037678
Molecular FormulaC12H10F3NS
Molecular Weight257.28 g/mol
Exact Mass257.05
IUPAC Name4-[4-(trifluoromethylsulfanyl)phenyl]-2,3-dihydropyridine
SMILESFC(F)(F)Sc1ccc(C2=CC=NCC2)cc1
InChIInChI=1S/C12H10F3NS/c13-12(14,15)17-11-3-1-9(2-4-11)10-5-7-16-8-6-10/h1-5,7H,6,8H2
InChIKeyNQPZXDBVTJFYIQ-UHFFFAOYSA-N
XLogP4.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethylsulfanyl)phenyl]-2,3-dihydropyridine?
The IUPAC name of 4-[4-(trifluoromethylsulfanyl)phenyl]-2,3-dihydropyridine (CID 154037678) is 4-[4-(trifluoromethylsulfanyl)phenyl]-2,3-dihydropyridine.
What is the SMILES notation for 4-[4-(trifluoromethylsulfanyl)phenyl]-2,3-dihydropyridine?
The canonical SMILES for 4-[4-(trifluoromethylsulfanyl)phenyl]-2,3-dihydropyridine is FC(F)(F)Sc1ccc(C2=CC=NCC2)cc1.
What is the InChIKey of 4-[4-(trifluoromethylsulfanyl)phenyl]-2,3-dihydropyridine?
The InChIKey is NQPZXDBVTJFYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NS/c13-12(14,15)17-11-3-1-9(2-4-11)10-5-7-16-8-6-10/h1-5,7H,6,8H2.
What are the key properties of 4-[4-(trifluoromethylsulfanyl)phenyl]-2,3-dihydropyridine?
4-[4-(trifluoromethylsulfanyl)phenyl]-2,3-dihydropyridine has a molecular weight of 257.28 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethylsulfanyl)phenyl]-2,3-dihydropyridine is sourced from PubChem (CID 154037678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).