7a-fluoro-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine

C8H14FN — CID 156744785

IUPAC7a-fluoro-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine
SMILESFC12CCCC1CCCN2
InChIInChI=1S/C8H14FN/c9-8-5-1-3-7(8)4-2-6-10-8/h7,10H,1-6H2
InChIKeySRHJPGYZGFVVAW-UHFFFAOYSA-N
MW143.20 g/mol
LogP1.84
Rot. Bonds

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

7a-fluoro-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine (PubChem CID 156744785) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is 7a-fluoro-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine.

Molecular Properties

Compound Name7a-fluoro-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine
PubChem CID156744785
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name7a-fluoro-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine
SMILESFC12CCCC1CCCN2
InChIInChI=1S/C8H14FN/c9-8-5-1-3-7(8)4-2-6-10-8/h7,10H,1-6H2
InChIKeySRHJPGYZGFVVAW-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 7a-fluoro-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine?
The IUPAC name of 7a-fluoro-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine (CID 156744785) is 7a-fluoro-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine.
What is the SMILES notation for 7a-fluoro-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine?
The canonical SMILES for 7a-fluoro-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine is FC12CCCC1CCCN2.
What is the InChIKey of 7a-fluoro-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine?
The InChIKey is SRHJPGYZGFVVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c9-8-5-1-3-7(8)4-2-6-10-8/h7,10H,1-6H2.
What are the key properties of 7a-fluoro-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine?
7a-fluoro-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine has a molecular weight of 143.20 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-fluoro-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine is sourced from PubChem (CID 156744785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).