8-fluoro-1,2,3,5,6,7-hexahydropyrrolizine

C7H12FN — CID 170194734

IUPAC8-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
SMILESFC12CCCN1CCC2
InChIInChI=1S/C7H12FN/c8-7-3-1-5-9(7)6-2-4-7/h1-6H2
InChIKeyDUIPYPJTCUVTEG-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.54
Rot. Bonds

About 8-fluoro-1,2,3,5,6,7-hexahydropyrrolizine

8-fluoro-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 170194734) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 8-fluoro-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name8-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID170194734
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name8-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
SMILESFC12CCCN1CCC2
InChIInChI=1S/C7H12FN/c8-7-3-1-5-9(7)6-2-4-7/h1-6H2
InChIKeyDUIPYPJTCUVTEG-UHFFFAOYSA-N
XLogP1.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.54
H-Bond Donors ≤ 50
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 8-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 8-fluoro-1,2,3,5,6,7-hexahydropyrrolizine (CID 170194734) is 8-fluoro-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 8-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 8-fluoro-1,2,3,5,6,7-hexahydropyrrolizine is FC12CCCN1CCC2.
What is the InChIKey of 8-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is DUIPYPJTCUVTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c8-7-3-1-5-9(7)6-2-4-7/h1-6H2.
What are the key properties of 8-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
8-fluoro-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 129.18 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 170194734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).