O-[[2-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy-methyl-λ3-iodanyl]ethoxy]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl]hydroxylamine

C19H35FIN3O3 — CID 166489826

IUPACO-[[2-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy-methyl-λ3-iodanyl]ethoxy]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl]hydroxylamine
SMILESCI(CCOC1CN2CCCC2(CON)C1)OCC12CCCN1CC(F)C2
InChIInChI=1S/C19H35FIN3O3/c1-21(26-14-18-4-2-7-23(18)12-16(20)10-18)6-9-25-17-11-19(15-27-22)5-3-8-24(19)13-17/h16-17H,2-15,22H2,1H3
InChIKeyKYJKGDJYJNGTNG-UHFFFAOYSA-N
MW499.41 g/mol
LogP2.14
Rot. Bonds9

About O-[[2-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy-methyl-λ3-iodanyl]ethoxy]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl]hydroxylamine

O-[[2-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy-methyl-λ3-iodanyl]ethoxy]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl]hydroxylamine (PubChem CID 166489826) has the molecular formula C19H35FIN3O3 and a molecular weight of 499.41 g/mol. Its IUPAC name is O-[[2-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy-methyl-λ3-iodanyl]ethoxy]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[2-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy-methyl-λ3-iodanyl]ethoxy]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl]hydroxylamine
PubChem CID166489826
Molecular FormulaC19H35FIN3O3
Molecular Weight499.41 g/mol
Exact Mass499.17
IUPAC NameO-[[2-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy-methyl-λ3-iodanyl]ethoxy]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl]hydroxylamine
SMILESCI(CCOC1CN2CCCC2(CON)C1)OCC12CCCN1CC(F)C2
InChIInChI=1S/C19H35FIN3O3/c1-21(26-14-18-4-2-7-23(18)12-16(20)10-18)6-9-25-17-11-19(15-27-22)5-3-8-24(19)13-17/h16-17H,2-15,22H2,1H3
InChIKeyKYJKGDJYJNGTNG-UHFFFAOYSA-N
XLogP2.14
TPSA60.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-[[2-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy-methyl-λ3-iodanyl]ethoxy]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl]hydroxylamine?
The IUPAC name of O-[[2-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy-methyl-λ3-iodanyl]ethoxy]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl]hydroxylamine (CID 166489826) is O-[[2-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy-methyl-λ3-iodanyl]ethoxy]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl]hydroxylamine.
What is the SMILES notation for O-[[2-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy-methyl-λ3-iodanyl]ethoxy]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl]hydroxylamine?
The canonical SMILES for O-[[2-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy-methyl-λ3-iodanyl]ethoxy]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl]hydroxylamine is CI(CCOC1CN2CCCC2(CON)C1)OCC12CCCN1CC(F)C2.
What is the InChIKey of O-[[2-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy-methyl-λ3-iodanyl]ethoxy]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl]hydroxylamine?
The InChIKey is KYJKGDJYJNGTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35FIN3O3/c1-21(26-14-18-4-2-7-23(18)12-16(20)10-18)6-9-25-17-11-19(15-27-22)5-3-8-24(19)13-17/h16-17H,2-15,22H2,1H3.
What are the key properties of O-[[2-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy-methyl-λ3-iodanyl]ethoxy]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl]hydroxylamine?
O-[[2-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy-methyl-λ3-iodanyl]ethoxy]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl]hydroxylamine has a molecular weight of 499.41 g/mol, XLogP of 2.14, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[2-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy-methyl-λ3-iodanyl]ethoxy]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methyl]hydroxylamine is sourced from PubChem (CID 166489826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).