(1S,6S,7S,8R,8aR)-6-fluoro-8-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7-diol

C15H20FNO3 — CID 14887494

IUPAC(1S,6S,7S,8R,8aR)-6-fluoro-8-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7-diol
SMILESO[C@H]1[C@H](OCc2ccccc2)[C@H]2[C@@H](O)CCN2C[C@@H]1F
InChIInChI=1S/C15H20FNO3/c16-11-8-17-7-6-12(18)13(17)15(14(11)19)20-9-10-4-2-1-3-5-10/h1-5,11-15,18-19H,6-9H2/t11-,12-,13+,14+,15+/m0/s1
InChIKeyDAYXJGJZFFJXDW-VQJWOFKYSA-N
MW281.33 g/mol
LogP0.72
Rot. Bonds3

About (1S,6S,7S,8R,8aR)-6-fluoro-8-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7-diol

(1S,6S,7S,8R,8aR)-6-fluoro-8-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7-diol (PubChem CID 14887494) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is (1S,6S,7S,8R,8aR)-6-fluoro-8-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7-diol.

Molecular Properties

Compound Name(1S,6S,7S,8R,8aR)-6-fluoro-8-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7-diol
PubChem CID14887494
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name(1S,6S,7S,8R,8aR)-6-fluoro-8-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7-diol
SMILESO[C@H]1[C@H](OCc2ccccc2)[C@H]2[C@@H](O)CCN2C[C@@H]1F
InChIInChI=1S/C15H20FNO3/c16-11-8-17-7-6-12(18)13(17)15(14(11)19)20-9-10-4-2-1-3-5-10/h1-5,11-15,18-19H,6-9H2/t11-,12-,13+,14+,15+/m0/s1
InChIKeyDAYXJGJZFFJXDW-VQJWOFKYSA-N
XLogP0.72
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S,6S,7S,8R,8aR)-6-fluoro-8-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7-diol with MolForge

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Related Compounds

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(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(6-phenylmethoxyhexyl)piperidine-3,4,5-triol
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1-(2-Methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
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(6E,7R,8R,8aS)-8-methyl-6-[(2R)-2-methylhexylidene]-8-phenylmethoxy-1,2,3,5,7,8a-hexahydroindolizin-7-ol
CID 5470307
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Frequently Asked Questions

What is the IUPAC name of (1S,6S,7S,8R,8aR)-6-fluoro-8-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7-diol?
The IUPAC name of (1S,6S,7S,8R,8aR)-6-fluoro-8-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7-diol (CID 14887494) is (1S,6S,7S,8R,8aR)-6-fluoro-8-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7-diol.
What is the SMILES notation for (1S,6S,7S,8R,8aR)-6-fluoro-8-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7-diol?
The canonical SMILES for (1S,6S,7S,8R,8aR)-6-fluoro-8-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7-diol is O[C@H]1[C@H](OCc2ccccc2)[C@H]2[C@@H](O)CCN2C[C@@H]1F.
What is the InChIKey of (1S,6S,7S,8R,8aR)-6-fluoro-8-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7-diol?
The InChIKey is DAYXJGJZFFJXDW-VQJWOFKYSA-N. The full InChI is InChI=1S/C15H20FNO3/c16-11-8-17-7-6-12(18)13(17)15(14(11)19)20-9-10-4-2-1-3-5-10/h1-5,11-15,18-19H,6-9H2/t11-,12-,13+,14+,15+/m0/s1.
What are the key properties of (1S,6S,7S,8R,8aR)-6-fluoro-8-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7-diol?
(1S,6S,7S,8R,8aR)-6-fluoro-8-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7-diol has a molecular weight of 281.33 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S,7S,8R,8aR)-6-fluoro-8-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7-diol is sourced from PubChem (CID 14887494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).