5-(2-fluoropropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine

C12H16FNOS — CID 142460929

IUPAC5-(2-fluoropropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine
SMILESC=C(C)c1ncc(OCC(C)F)cc1SC
InChIInChI=1S/C12H16FNOS/c1-8(2)12-11(16-4)5-10(6-14-12)15-7-9(3)13/h5-6,9H,1,7H2,2-4H3
InChIKeyBKPSLUAXZVTNEU-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.57
Rot. Bonds5

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

5-(2-fluoropropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine (PubChem CID 142460929) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is 5-(2-fluoropropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine.

Molecular Properties

Compound Name5-(2-fluoropropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine
PubChem CID142460929
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC Name5-(2-fluoropropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine
SMILESC=C(C)c1ncc(OCC(C)F)cc1SC
InChIInChI=1S/C12H16FNOS/c1-8(2)12-11(16-4)5-10(6-14-12)15-7-9(3)13/h5-6,9H,1,7H2,2-4H3
InChIKeyBKPSLUAXZVTNEU-UHFFFAOYSA-N
XLogP3.57
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoropropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine?
The IUPAC name of 5-(2-fluoropropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine (CID 142460929) is 5-(2-fluoropropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine.
What is the SMILES notation for 5-(2-fluoropropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine?
The canonical SMILES for 5-(2-fluoropropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine is C=C(C)c1ncc(OCC(C)F)cc1SC.
What is the InChIKey of 5-(2-fluoropropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine?
The InChIKey is BKPSLUAXZVTNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNOS/c1-8(2)12-11(16-4)5-10(6-14-12)15-7-9(3)13/h5-6,9H,1,7H2,2-4H3.
What are the key properties of 5-(2-fluoropropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine?
5-(2-fluoropropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine has a molecular weight of 241.33 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoropropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine is sourced from PubChem (CID 142460929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).