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

C9H13FINO — CID 177330235

IUPAC[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite
SMILESF/C=C1\CN2CCC[C@@]2(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-/t9-/m0/s1
InChIKeyXLNHUTKIDSQWII-RDOCRHDPSA-N
MW297.11 g/mol
LogP2.44
Rot. Bonds2

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

[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite (PubChem CID 177330235) has the molecular formula C9H13FINO and a molecular weight of 297.11 g/mol. Its IUPAC name is [(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite.

Molecular Properties

Compound Name[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite
PubChem CID177330235
Molecular FormulaC9H13FINO
Molecular Weight297.11 g/mol
Exact Mass297.00
IUPAC Name[(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite
SMILESF/C=C1\CN2CCC[C@@]2(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-/t9-/m0/s1
InChIKeyXLNHUTKIDSQWII-RDOCRHDPSA-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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Related Compounds

(E)-(2-(Fluoromethylene)tetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 162730762
(6E)-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163656569
2-fluoro-6-methylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163656570
(2-fluoro-6-methylene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
CID 163686023
[(6Z,8S)-6-(fluoromethylene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 164875895
[(8R)-6-(difluoromethylene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 164875941
[(8S)-6-(difluoromethylene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 164875966
(S,Z)-(2-(Fluoromethylene)tetrahydro-1H-pyrrolizin-7A(5H)-YL)methanol
CID 164876019
(S,E)-(2-(Fluoromethylene)tetrahydro-1H-pyrrolizin-7A(5H)-YL)methanol
CID 164876022
[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite
CID 164921947
6-(difluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164922087
[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 164922173

Frequently Asked Questions

What is the IUPAC name of [(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite?
The IUPAC name of [(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite (CID 177330235) is [(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite.
What is the SMILES notation for [(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite?
The canonical SMILES for [(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite is F/C=C1\CN2CCC[C@@]2(COI)C1.
What is the InChIKey of [(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite?
The InChIKey is XLNHUTKIDSQWII-RDOCRHDPSA-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-/t9-/m0/s1.
What are the key properties of [(6Z,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite?
[(6Z,8S)-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,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite is sourced from PubChem (CID 177330235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).