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

C9H12F2INO — CID 164921947

IUPAC[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite
SMILESFC(F)=C1CN2CCCC2(COI)C1
InChIInChI=1S/C9H12F2INO/c10-8(11)7-4-9(6-14-12)2-1-3-13(9)5-7/h1-6H2
InChIKeyGRDOERJNXBVMOF-UHFFFAOYSA-N
MW315.10 g/mol
LogP2.74
Rot. Bonds2

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

[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite (PubChem CID 164921947) has the molecular formula C9H12F2INO and a molecular weight of 315.10 g/mol. Its IUPAC name is [6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite.

Molecular Properties

Compound Name[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite
PubChem CID164921947
Molecular FormulaC9H12F2INO
Molecular Weight315.10 g/mol
Exact Mass314.99
IUPAC Name[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite
SMILESFC(F)=C1CN2CCCC2(COI)C1
InChIInChI=1S/C9H12F2INO/c10-8(11)7-4-9(6-14-12)2-1-3-13(9)5-7/h1-6H2
InChIKeyGRDOERJNXBVMOF-UHFFFAOYSA-N
XLogP2.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.10
LogP ≤ 52.74
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 [6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite?
The IUPAC name of [6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite (CID 164921947) is [6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite.
What is the SMILES notation for [6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite?
The canonical SMILES for [6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite is FC(F)=C1CN2CCCC2(COI)C1.
What is the InChIKey of [6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite?
The InChIKey is GRDOERJNXBVMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2INO/c10-8(11)7-4-9(6-14-12)2-1-3-13(9)5-7/h1-6H2.
What are the key properties of [6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite?
[6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite has a molecular weight of 315.10 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methyl hypoiodite is sourced from PubChem (CID 164921947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).