[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite

C9H13FINO — CID 164922217

IUPAC[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite
SMILESF/C=C1\CN2CCCC2(COI)C1
InChIInChI=1S/C9H13FINO/c10-5-8-4-9(7-13-11)2-1-3-12(9)6-8/h5H,1-4,6-7H2/b8-5-
InChIKeyXLNHUTKIDSQWII-YVMONPNESA-N
MW297.11 g/mol
LogP2.44
Rot. Bonds2

About [(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite

[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite (PubChem CID 164922217) has the molecular formula C9H13FINO and a molecular weight of 297.11 g/mol. Its IUPAC name is [(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite.

Molecular Properties

Compound Name[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite
PubChem CID164922217
Molecular FormulaC9H13FINO
Molecular Weight297.11 g/mol
Exact Mass297.00
IUPAC Name[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite
SMILESF/C=C1\CN2CCCC2(COI)C1
InChIInChI=1S/C9H13FINO/c10-5-8-4-9(7-13-11)2-1-3-12(9)6-8/h5H,1-4,6-7H2/b8-5-
InChIKeyXLNHUTKIDSQWII-YVMONPNESA-N
XLogP2.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite?
The IUPAC name of [(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite (CID 164922217) is [(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite.
What is the SMILES notation for [(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite?
The canonical SMILES for [(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite is F/C=C1\CN2CCCC2(COI)C1.
What is the InChIKey of [(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite?
The InChIKey is XLNHUTKIDSQWII-YVMONPNESA-N. The full InChI is InChI=1S/C9H13FINO/c10-5-8-4-9(7-13-11)2-1-3-12(9)6-8/h5H,1-4,6-7H2/b8-5-.
What are the key properties of [(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite?
[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite has a molecular weight of 297.11 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite is sourced from PubChem (CID 164922217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).