5-(2-fluoro-2-methylpropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine

C13H18FNOS — CID 142460964

IUPAC5-(2-fluoro-2-methylpropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine
SMILESC=C(C)c1ncc(OCC(C)(C)F)cc1SC
InChIInChI=1S/C13H18FNOS/c1-9(2)12-11(17-5)6-10(7-15-12)16-8-13(3,4)14/h6-7H,1,8H2,2-5H3
InChIKeyTYSYWGVTWZPKRY-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.96
Rot. Bonds5

About 5-(2-fluoro-2-methylpropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine

5-(2-fluoro-2-methylpropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine (PubChem CID 142460964) has the molecular formula C13H18FNOS and a molecular weight of 255.36 g/mol. Its IUPAC name is 5-(2-fluoro-2-methylpropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine.

Molecular Properties

Compound Name5-(2-fluoro-2-methylpropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine
PubChem CID142460964
Molecular FormulaC13H18FNOS
Molecular Weight255.36 g/mol
Exact Mass255.11
IUPAC Name5-(2-fluoro-2-methylpropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine
SMILESC=C(C)c1ncc(OCC(C)(C)F)cc1SC
InChIInChI=1S/C13H18FNOS/c1-9(2)12-11(17-5)6-10(7-15-12)16-8-13(3,4)14/h6-7H,1,8H2,2-5H3
InChIKeyTYSYWGVTWZPKRY-UHFFFAOYSA-N
XLogP3.96
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-2-methylpropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine?
The IUPAC name of 5-(2-fluoro-2-methylpropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine (CID 142460964) is 5-(2-fluoro-2-methylpropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine.
What is the SMILES notation for 5-(2-fluoro-2-methylpropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine?
The canonical SMILES for 5-(2-fluoro-2-methylpropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine is C=C(C)c1ncc(OCC(C)(C)F)cc1SC.
What is the InChIKey of 5-(2-fluoro-2-methylpropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine?
The InChIKey is TYSYWGVTWZPKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNOS/c1-9(2)12-11(17-5)6-10(7-15-12)16-8-13(3,4)14/h6-7H,1,8H2,2-5H3.
What are the key properties of 5-(2-fluoro-2-methylpropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine?
5-(2-fluoro-2-methylpropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine has a molecular weight of 255.36 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-2-methylpropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine is sourced from PubChem (CID 142460964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).