(1R,6S,7R,8R,8aS)-1-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol

C8H14FNO3 — CID 10845389

IUPAC(1R,6S,7R,8R,8aS)-1-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol
SMILESO[C@H]1[C@H](O)[C@@H](O)CN2CC[C@@H](F)[C@H]12
InChIInChI=1S/C8H14FNO3/c9-4-1-2-10-3-5(11)7(12)8(13)6(4)10/h4-8,11-13H,1-3H2/t4-,5+,6-,7-,8-/m1/s1
InChIKeyOYGYTSQATMNSMW-OZRXBMAMSA-N
MW191.20 g/mol
LogP-1.50
Rot. Bonds

About (1R,6S,7R,8R,8aS)-1-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol

(1R,6S,7R,8R,8aS)-1-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol (PubChem CID 10845389) has the molecular formula C8H14FNO3 and a molecular weight of 191.20 g/mol. Its IUPAC name is (1R,6S,7R,8R,8aS)-1-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol.

Molecular Properties

Compound Name(1R,6S,7R,8R,8aS)-1-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol
PubChem CID10845389
Molecular FormulaC8H14FNO3
Molecular Weight191.20 g/mol
Exact Mass191.10
IUPAC Name(1R,6S,7R,8R,8aS)-1-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol
SMILESO[C@H]1[C@H](O)[C@@H](O)CN2CC[C@@H](F)[C@H]12
InChIInChI=1S/C8H14FNO3/c9-4-1-2-10-3-5(11)7(12)8(13)6(4)10/h4-8,11-13H,1-3H2/t4-,5+,6-,7-,8-/m1/s1
InChIKeyOYGYTSQATMNSMW-OZRXBMAMSA-N
XLogP-1.50
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1R,6S,7R,8R,8aS)-1-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol with MolForge

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Launch Full Analysis

Related Compounds

(1S,6S,7S,8R)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol
CID 130756850
(1S,6R,7R,8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol
CID 11052417
(1S,6S,7S,8R,8aR)-6-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7,8-triol
CID 14636219
(1R,2S,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 11252155
(1R,7R,8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,7,8-tetrol
CID 143167608
(2R,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 153057468
(3S,4R,5R,6R)-1-azabicyclo[4.2.0]octane-3,4,5-triol
CID 46862440
8-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol
CID 85195122
(1S,2S,6R,7R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol
CID 89102266
(2R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol
CID 57320180
(6R,7S,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol
CID 11401041
(1S,2S,3R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3-triol
CID 11183076

Frequently Asked Questions

What is the IUPAC name of (1R,6S,7R,8R,8aS)-1-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol?
The IUPAC name of (1R,6S,7R,8R,8aS)-1-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol (CID 10845389) is (1R,6S,7R,8R,8aS)-1-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol.
What is the SMILES notation for (1R,6S,7R,8R,8aS)-1-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol?
The canonical SMILES for (1R,6S,7R,8R,8aS)-1-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol is O[C@H]1[C@H](O)[C@@H](O)CN2CC[C@@H](F)[C@H]12.
What is the InChIKey of (1R,6S,7R,8R,8aS)-1-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol?
The InChIKey is OYGYTSQATMNSMW-OZRXBMAMSA-N. The full InChI is InChI=1S/C8H14FNO3/c9-4-1-2-10-3-5(11)7(12)8(13)6(4)10/h4-8,11-13H,1-3H2/t4-,5+,6-,7-,8-/m1/s1.
What are the key properties of (1R,6S,7R,8R,8aS)-1-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol?
(1R,6S,7R,8R,8aS)-1-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol has a molecular weight of 191.20 g/mol, XLogP of -1.50, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,7R,8R,8aS)-1-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol is sourced from PubChem (CID 10845389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).