2-benzylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine

C14H12F3NOS — CID 91315360

IUPAC2-benzylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine
SMILESFC(F)(F)COc1cccnc1SCc1ccccc1
InChIInChI=1S/C14H12F3NOS/c15-14(16,17)10-19-12-7-4-8-18-13(12)20-9-11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeyOXNSCELVILUZAR-UHFFFAOYSA-N
MW299.32 g/mol
LogP4.32
Rot. Bonds5

About 2-benzylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine

2-benzylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 91315360) has the molecular formula C14H12F3NOS and a molecular weight of 299.32 g/mol. Its IUPAC name is 2-benzylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name2-benzylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine
PubChem CID91315360
Molecular FormulaC14H12F3NOS
Molecular Weight299.32 g/mol
Exact Mass299.06
IUPAC Name2-benzylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine
SMILESFC(F)(F)COc1cccnc1SCc1ccccc1
InChIInChI=1S/C14H12F3NOS/c15-14(16,17)10-19-12-7-4-8-18-13(12)20-9-11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeyOXNSCELVILUZAR-UHFFFAOYSA-N
XLogP4.32
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 2-benzylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine (CID 91315360) is 2-benzylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 2-benzylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 2-benzylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine is FC(F)(F)COc1cccnc1SCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is OXNSCELVILUZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NOS/c15-14(16,17)10-19-12-7-4-8-18-13(12)20-9-11-5-2-1-3-6-11/h1-8H,9-10H2.
What are the key properties of 2-benzylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine?
2-benzylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 299.32 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 91315360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).