3-(1-fluoropropan-2-yloxy)-2-propan-2-ylsulfanylpyridine

C11H16FNOS — CID 19957933

IUPAC3-(1-fluoropropan-2-yloxy)-2-propan-2-ylsulfanylpyridine
SMILESCC(CF)Oc1cccnc1SC(C)C
InChIInChI=1S/C11H16FNOS/c1-8(2)15-11-10(5-4-6-13-11)14-9(3)7-12/h4-6,8-9H,7H2,1-3H3
InChIKeySJOUGVYOPOAACM-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.32
Rot. Bonds5

About 3-(1-fluoropropan-2-yloxy)-2-propan-2-ylsulfanylpyridine

3-(1-fluoropropan-2-yloxy)-2-propan-2-ylsulfanylpyridine (PubChem CID 19957933) has the molecular formula C11H16FNOS and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-(1-fluoropropan-2-yloxy)-2-propan-2-ylsulfanylpyridine.

Molecular Properties

Compound Name3-(1-fluoropropan-2-yloxy)-2-propan-2-ylsulfanylpyridine
PubChem CID19957933
Molecular FormulaC11H16FNOS
Molecular Weight229.32 g/mol
Exact Mass229.09
IUPAC Name3-(1-fluoropropan-2-yloxy)-2-propan-2-ylsulfanylpyridine
SMILESCC(CF)Oc1cccnc1SC(C)C
InChIInChI=1S/C11H16FNOS/c1-8(2)15-11-10(5-4-6-13-11)14-9(3)7-12/h4-6,8-9H,7H2,1-3H3
InChIKeySJOUGVYOPOAACM-UHFFFAOYSA-N
XLogP3.32
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoropropan-2-yloxy)-2-propan-2-ylsulfanylpyridine?
The IUPAC name of 3-(1-fluoropropan-2-yloxy)-2-propan-2-ylsulfanylpyridine (CID 19957933) is 3-(1-fluoropropan-2-yloxy)-2-propan-2-ylsulfanylpyridine.
What is the SMILES notation for 3-(1-fluoropropan-2-yloxy)-2-propan-2-ylsulfanylpyridine?
The canonical SMILES for 3-(1-fluoropropan-2-yloxy)-2-propan-2-ylsulfanylpyridine is CC(CF)Oc1cccnc1SC(C)C.
What is the InChIKey of 3-(1-fluoropropan-2-yloxy)-2-propan-2-ylsulfanylpyridine?
The InChIKey is SJOUGVYOPOAACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNOS/c1-8(2)15-11-10(5-4-6-13-11)14-9(3)7-12/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 3-(1-fluoropropan-2-yloxy)-2-propan-2-ylsulfanylpyridine?
3-(1-fluoropropan-2-yloxy)-2-propan-2-ylsulfanylpyridine has a molecular weight of 229.32 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoropropan-2-yloxy)-2-propan-2-ylsulfanylpyridine is sourced from PubChem (CID 19957933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).