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

C10H16FN — CID 162730748

IUPAC1-fluoro-8-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESC=CCC12CCCN1CCC2F
InChIInChI=1S/C10H16FN/c1-2-5-10-6-3-7-12(10)8-4-9(10)11/h2,9H,1,3-8H2
InChIKeyFVGZJUIWTUOKJN-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.14
Rot. Bonds2

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

1-fluoro-8-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 162730748) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 1-fluoro-8-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name1-fluoro-8-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID162730748
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name1-fluoro-8-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESC=CCC12CCCN1CCC2F
InChIInChI=1S/C10H16FN/c1-2-5-10-6-3-7-12(10)8-4-9(10)11/h2,9H,1,3-8H2
InChIKeyFVGZJUIWTUOKJN-UHFFFAOYSA-N
XLogP2.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.14
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

(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
2-fluoro-8-[(E)-3-methylbut-1-enyl]-1,2,3,5,6,7-hexahydropyrrolizine
CID 164922407
8-Ethenyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 164922807
(6Z)-6-(fluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164943312
2-fluoro-6-methylidene-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 166984256
(6Z)-8-ethyl-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 166984257

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-8-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 1-fluoro-8-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine (CID 162730748) is 1-fluoro-8-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 1-fluoro-8-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 1-fluoro-8-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine is C=CCC12CCCN1CCC2F.
What is the InChIKey of 1-fluoro-8-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is FVGZJUIWTUOKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-2-5-10-6-3-7-12(10)8-4-9(10)11/h2,9H,1,3-8H2.
What are the key properties of 1-fluoro-8-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine?
1-fluoro-8-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 169.24 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-8-prop-2-enyl-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 162730748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).