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

C9H14FN — CID 164922807

IUPAC8-ethenyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
SMILESC=CC12CCCN1CC(F)C2
InChIInChI=1S/C9H14FN/c1-2-9-4-3-5-11(9)7-8(10)6-9/h2,8H,1,3-7H2
InChIKeyGQWZJCYEOZPKPG-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.75
Rot. Bonds1

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

8-ethenyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 164922807) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 8-ethenyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name8-ethenyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID164922807
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name8-ethenyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
SMILESC=CC12CCCN1CC(F)C2
InChIInChI=1S/C9H14FN/c1-2-9-4-3-5-11(9)7-8(10)6-9/h2,8H,1,3-7H2
InChIKeyGQWZJCYEOZPKPG-UHFFFAOYSA-N
XLogP1.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Fluoro-8-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 162730748
(8R)-8-ethyl-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 162730761
(6E)-6-(fluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163614751
6,6-difluoro-8-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163623853
(6E)-6-(fluoromethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163977864
2-fluoro-6-methylidene-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163977865
(6Z,8S)-6-(fluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164875903
(6E,8S)-6-(fluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164875923
(8S)-6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164875954
2-fluoro-8-[(E)-3-methylbut-1-enyl]-1,2,3,5,6,7-hexahydropyrrolizine
CID 164922407
(6Z)-6-(fluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164943312
6-(difluoromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 166984254

Frequently Asked Questions

What is the IUPAC name of 8-ethenyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 8-ethenyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine (CID 164922807) is 8-ethenyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 8-ethenyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 8-ethenyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine is C=CC12CCCN1CC(F)C2.
What is the InChIKey of 8-ethenyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is GQWZJCYEOZPKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN/c1-2-9-4-3-5-11(9)7-8(10)6-9/h2,8H,1,3-7H2.
What are the key properties of 8-ethenyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine?
8-ethenyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 155.22 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 164922807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).