6-(2-fluoroethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine

C9H17FN2 — CID 102682226

IUPAC6-(2-fluoroethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESFCCN1CC2CCCNC2C1
InChIInChI=1S/C9H17FN2/c10-3-5-12-6-8-2-1-4-11-9(8)7-12/h8-9,11H,1-7H2
InChIKeyOEHQVUJWGXDICB-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.64
Rot. Bonds2

About 6-(2-fluoroethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine

6-(2-fluoroethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine (PubChem CID 102682226) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is 6-(2-fluoroethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-(2-fluoroethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
PubChem CID102682226
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name6-(2-fluoroethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESFCCN1CC2CCCNC2C1
InChIInChI=1S/C9H17FN2/c10-3-5-12-6-8-2-1-4-11-9(8)7-12/h8-9,11H,1-7H2
InChIKeyOEHQVUJWGXDICB-UHFFFAOYSA-N
XLogP0.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
The IUPAC name of 6-(2-fluoroethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine (CID 102682226) is 6-(2-fluoroethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 6-(2-fluoroethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 6-(2-fluoroethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine is FCCN1CC2CCCNC2C1.
What is the InChIKey of 6-(2-fluoroethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
The InChIKey is OEHQVUJWGXDICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2/c10-3-5-12-6-8-2-1-4-11-9(8)7-12/h8-9,11H,1-7H2.
What are the key properties of 6-(2-fluoroethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
6-(2-fluoroethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine has a molecular weight of 172.25 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 102682226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).