4-fluoro-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine

C8H14FN — CID 105428502

IUPAC4-fluoro-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESFC1CCNC2CCCC12
InChIInChI=1S/C8H14FN/c9-7-4-5-10-8-3-1-2-6(7)8/h6-8,10H,1-5H2
InChIKeyJQQIYIJIPYVHCJ-UHFFFAOYSA-N
MW143.20 g/mol
LogP1.49
Rot. Bonds

About 4-fluoro-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine

4-fluoro-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (PubChem CID 105428502) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is 4-fluoro-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name4-fluoro-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
PubChem CID105428502
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name4-fluoro-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESFC1CCNC2CCCC12
InChIInChI=1S/C8H14FN/c9-7-4-5-10-8-3-1-2-6(7)8/h6-8,10H,1-5H2
InChIKeyJQQIYIJIPYVHCJ-UHFFFAOYSA-N
XLogP1.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The IUPAC name of 4-fluoro-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (CID 105428502) is 4-fluoro-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.
What is the SMILES notation for 4-fluoro-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The canonical SMILES for 4-fluoro-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is FC1CCNC2CCCC12.
What is the InChIKey of 4-fluoro-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The InChIKey is JQQIYIJIPYVHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c9-7-4-5-10-8-3-1-2-6(7)8/h6-8,10H,1-5H2.
What are the key properties of 4-fluoro-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
4-fluoro-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine has a molecular weight of 143.20 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is sourced from PubChem (CID 105428502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).