3-fluoro-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine

C10H19FN2 — CID 140642496

IUPAC3-fluoro-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
SMILESCC(C)C1NC2CCCCN2C1F
InChIInChI=1S/C10H19FN2/c1-7(2)9-10(11)13-6-4-3-5-8(13)12-9/h7-10,12H,3-6H2,1-2H3
InChIKeyINLJMERIXSWHRB-UHFFFAOYSA-N
MW186.27 g/mol
LogP1.72
Rot. Bonds1

About 3-fluoro-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine

3-fluoro-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine (PubChem CID 140642496) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is 3-fluoro-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-fluoro-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
PubChem CID140642496
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name3-fluoro-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
SMILESCC(C)C1NC2CCCCN2C1F
InChIInChI=1S/C10H19FN2/c1-7(2)9-10(11)13-6-4-3-5-8(13)12-9/h7-10,12H,3-6H2,1-2H3
InChIKeyINLJMERIXSWHRB-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine?
The IUPAC name of 3-fluoro-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine (CID 140642496) is 3-fluoro-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-fluoro-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 3-fluoro-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine is CC(C)C1NC2CCCCN2C1F.
What is the InChIKey of 3-fluoro-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine?
The InChIKey is INLJMERIXSWHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2/c1-7(2)9-10(11)13-6-4-3-5-8(13)12-9/h7-10,12H,3-6H2,1-2H3.
What are the key properties of 3-fluoro-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine?
3-fluoro-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine has a molecular weight of 186.27 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 140642496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).