3-(difluoromethoxy)-2-propan-2-ylsulfanylpyridine

C9H11F2NOS — CID 18954646

IUPAC3-(difluoromethoxy)-2-propan-2-ylsulfanylpyridine
SMILESCC(C)Sc1ncccc1OC(F)F
InChIInChI=1S/C9H11F2NOS/c1-6(2)14-8-7(13-9(10)11)4-3-5-12-8/h3-6,9H,1-2H3
InChIKeyZNPQILYHQMDLTF-UHFFFAOYSA-N
MW219.26 g/mol
LogP3.18
Rot. Bonds4

About 3-(difluoromethoxy)-2-propan-2-ylsulfanylpyridine

3-(difluoromethoxy)-2-propan-2-ylsulfanylpyridine (PubChem CID 18954646) has the molecular formula C9H11F2NOS and a molecular weight of 219.26 g/mol. Its IUPAC name is 3-(difluoromethoxy)-2-propan-2-ylsulfanylpyridine.

Molecular Properties

Compound Name3-(difluoromethoxy)-2-propan-2-ylsulfanylpyridine
PubChem CID18954646
Molecular FormulaC9H11F2NOS
Molecular Weight219.26 g/mol
Exact Mass219.05
IUPAC Name3-(difluoromethoxy)-2-propan-2-ylsulfanylpyridine
SMILESCC(C)Sc1ncccc1OC(F)F
InChIInChI=1S/C9H11F2NOS/c1-6(2)14-8-7(13-9(10)11)4-3-5-12-8/h3-6,9H,1-2H3
InChIKeyZNPQILYHQMDLTF-UHFFFAOYSA-N
XLogP3.18
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-2-propan-2-ylsulfanylpyridine?
The IUPAC name of 3-(difluoromethoxy)-2-propan-2-ylsulfanylpyridine (CID 18954646) is 3-(difluoromethoxy)-2-propan-2-ylsulfanylpyridine.
What is the SMILES notation for 3-(difluoromethoxy)-2-propan-2-ylsulfanylpyridine?
The canonical SMILES for 3-(difluoromethoxy)-2-propan-2-ylsulfanylpyridine is CC(C)Sc1ncccc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-2-propan-2-ylsulfanylpyridine?
The InChIKey is ZNPQILYHQMDLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NOS/c1-6(2)14-8-7(13-9(10)11)4-3-5-12-8/h3-6,9H,1-2H3.
What are the key properties of 3-(difluoromethoxy)-2-propan-2-ylsulfanylpyridine?
3-(difluoromethoxy)-2-propan-2-ylsulfanylpyridine has a molecular weight of 219.26 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-2-propan-2-ylsulfanylpyridine is sourced from PubChem (CID 18954646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).