[2-[(E)-2-fluoroethenyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl hypoiodite

C10H15FINO — CID 164922500

IUPAC[2-[(E)-2-fluoroethenyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl hypoiodite
SMILESF/C=C/C1CN2CCCC2(COI)C1
InChIInChI=1S/C10H15FINO/c11-4-2-9-6-10(8-14-12)3-1-5-13(10)7-9/h2,4,9H,1,3,5-8H2/b4-2+
InChIKeyIURHCHJJXCRFNV-DUXPYHPUSA-N
MW311.14 g/mol
LogP2.69
Rot. Bonds3

About [2-[(E)-2-fluoroethenyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl hypoiodite

[2-[(E)-2-fluoroethenyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl hypoiodite (PubChem CID 164922500) has the molecular formula C10H15FINO and a molecular weight of 311.14 g/mol. Its IUPAC name is [2-[(E)-2-fluoroethenyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl hypoiodite.

Molecular Properties

Compound Name[2-[(E)-2-fluoroethenyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl hypoiodite
PubChem CID164922500
Molecular FormulaC10H15FINO
Molecular Weight311.14 g/mol
Exact Mass311.02
IUPAC Name[2-[(E)-2-fluoroethenyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl hypoiodite
SMILESF/C=C/C1CN2CCCC2(COI)C1
InChIInChI=1S/C10H15FINO/c11-4-2-9-6-10(8-14-12)3-1-5-13(10)7-9/h2,4,9H,1,3,5-8H2/b4-2+
InChIKeyIURHCHJJXCRFNV-DUXPYHPUSA-N
XLogP2.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-2-fluoroethenyl]-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164921895
[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite
CID 164921947
2-[(E)-2-fluoroethenyl]-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164921952
[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite
CID 164922217
(6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methyl hypofluorite
CID 164922582
(2S,8S)-2-(2,2-difluoroethenyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 172278799
[(2R,8R)-2-(2,2-difluoroethenyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 172278812
[2-(2,2-Difluoroethenyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 172279041
(2R,8S)-2-(2,2-difluoroethenyl)-6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 172279252
(2R,6Z,8S)-2-(2,2-difluoroethenyl)-6-(fluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 172279420
(6Z,8S)-6-(fluoromethylidene)-8-(methyliodanuidyloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 172380406
[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite
CID 177330235

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-2-fluoroethenyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl hypoiodite?
The IUPAC name of [2-[(E)-2-fluoroethenyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl hypoiodite (CID 164922500) is [2-[(E)-2-fluoroethenyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl hypoiodite.
What is the SMILES notation for [2-[(E)-2-fluoroethenyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl hypoiodite?
The canonical SMILES for [2-[(E)-2-fluoroethenyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl hypoiodite is F/C=C/C1CN2CCCC2(COI)C1.
What is the InChIKey of [2-[(E)-2-fluoroethenyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl hypoiodite?
The InChIKey is IURHCHJJXCRFNV-DUXPYHPUSA-N. The full InChI is InChI=1S/C10H15FINO/c11-4-2-9-6-10(8-14-12)3-1-5-13(10)7-9/h2,4,9H,1,3,5-8H2/b4-2+.
What are the key properties of [2-[(E)-2-fluoroethenyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl hypoiodite?
[2-[(E)-2-fluoroethenyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl hypoiodite has a molecular weight of 311.14 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-2-fluoroethenyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl hypoiodite is sourced from PubChem (CID 164922500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).