3-fluoro-4-(oxetan-3-yloxy)-5-propan-2-ylpyridine

C11H14FNO2 — CID 134168194

IUPAC3-fluoro-4-(oxetan-3-yloxy)-5-propan-2-ylpyridine
SMILESCC(C)c1cncc(F)c1OC1COC1
InChIInChI=1S/C11H14FNO2/c1-7(2)9-3-13-4-10(12)11(9)15-8-5-14-6-8/h3-4,7-8H,5-6H2,1-2H3
InChIKeyYVINNSZDRSKBDT-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.12
Rot. Bonds3

About 3-fluoro-4-(oxetan-3-yloxy)-5-propan-2-ylpyridine

3-fluoro-4-(oxetan-3-yloxy)-5-propan-2-ylpyridine (PubChem CID 134168194) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-fluoro-4-(oxetan-3-yloxy)-5-propan-2-ylpyridine.

Molecular Properties

Compound Name3-fluoro-4-(oxetan-3-yloxy)-5-propan-2-ylpyridine
PubChem CID134168194
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name3-fluoro-4-(oxetan-3-yloxy)-5-propan-2-ylpyridine
SMILESCC(C)c1cncc(F)c1OC1COC1
InChIInChI=1S/C11H14FNO2/c1-7(2)9-3-13-4-10(12)11(9)15-8-5-14-6-8/h3-4,7-8H,5-6H2,1-2H3
InChIKeyYVINNSZDRSKBDT-UHFFFAOYSA-N
XLogP2.12
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(oxetan-3-yloxy)-5-propan-2-ylpyridine?
The IUPAC name of 3-fluoro-4-(oxetan-3-yloxy)-5-propan-2-ylpyridine (CID 134168194) is 3-fluoro-4-(oxetan-3-yloxy)-5-propan-2-ylpyridine.
What is the SMILES notation for 3-fluoro-4-(oxetan-3-yloxy)-5-propan-2-ylpyridine?
The canonical SMILES for 3-fluoro-4-(oxetan-3-yloxy)-5-propan-2-ylpyridine is CC(C)c1cncc(F)c1OC1COC1.
What is the InChIKey of 3-fluoro-4-(oxetan-3-yloxy)-5-propan-2-ylpyridine?
The InChIKey is YVINNSZDRSKBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-7(2)9-3-13-4-10(12)11(9)15-8-5-14-6-8/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 3-fluoro-4-(oxetan-3-yloxy)-5-propan-2-ylpyridine?
3-fluoro-4-(oxetan-3-yloxy)-5-propan-2-ylpyridine has a molecular weight of 211.24 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(oxetan-3-yloxy)-5-propan-2-ylpyridine is sourced from PubChem (CID 134168194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).