2-fluoro-8-[(E)-3-methylbut-1-enyl]-1,2,3,5,6,7-hexahydropyrrolizine

C12H20FN — CID 164922407

IUPAC2-fluoro-8-[(E)-3-methylbut-1-enyl]-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)/C=C/C12CCCN1CC(F)C2
InChIInChI=1S/C12H20FN/c1-10(2)4-6-12-5-3-7-14(12)9-11(13)8-12/h4,6,10-11H,3,5,7-9H2,1-2H3/b6-4+
InChIKeyJASKRBQFBAMHMQ-GQCTYLIASA-N
MW197.30 g/mol
LogP2.78
Rot. Bonds2

About 2-fluoro-8-[(E)-3-methylbut-1-enyl]-1,2,3,5,6,7-hexahydropyrrolizine

2-fluoro-8-[(E)-3-methylbut-1-enyl]-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 164922407) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-fluoro-8-[(E)-3-methylbut-1-enyl]-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name2-fluoro-8-[(E)-3-methylbut-1-enyl]-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID164922407
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name2-fluoro-8-[(E)-3-methylbut-1-enyl]-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)/C=C/C12CCCN1CC(F)C2
InChIInChI=1S/C12H20FN/c1-10(2)4-6-12-5-3-7-14(12)9-11(13)8-12/h4,6,10-11H,3,5,7-9H2,1-2H3/b6-4+
InChIKeyJASKRBQFBAMHMQ-GQCTYLIASA-N
XLogP2.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.78
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
7-Fluoro-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine
CID 163418061
7-Fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine
CID 163614743
(6E)-6-(fluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163614751
(6E)-6-(1-fluoroethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163619300
6-Fluoro-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine
CID 163977858
(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
(6E)-6-(1-fluoroethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163977871
(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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-8-[(E)-3-methylbut-1-enyl]-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 2-fluoro-8-[(E)-3-methylbut-1-enyl]-1,2,3,5,6,7-hexahydropyrrolizine (CID 164922407) is 2-fluoro-8-[(E)-3-methylbut-1-enyl]-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 2-fluoro-8-[(E)-3-methylbut-1-enyl]-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 2-fluoro-8-[(E)-3-methylbut-1-enyl]-1,2,3,5,6,7-hexahydropyrrolizine is CC(C)/C=C/C12CCCN1CC(F)C2.
What is the InChIKey of 2-fluoro-8-[(E)-3-methylbut-1-enyl]-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is JASKRBQFBAMHMQ-GQCTYLIASA-N. The full InChI is InChI=1S/C12H20FN/c1-10(2)4-6-12-5-3-7-14(12)9-11(13)8-12/h4,6,10-11H,3,5,7-9H2,1-2H3/b6-4+.
What are the key properties of 2-fluoro-8-[(E)-3-methylbut-1-enyl]-1,2,3,5,6,7-hexahydropyrrolizine?
2-fluoro-8-[(E)-3-methylbut-1-enyl]-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 197.30 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-8-[(E)-3-methylbut-1-enyl]-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 164922407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).