(1R,2R,3R,6R,8R)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol

C8H14FNO3 — CID 171355341

IUPAC(1R,2R,3R,6R,8R)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)[C@H]2C[C@@H](F)CN12
InChIInChI=1S/C8H14FNO3/c9-4-1-5-7(12)8(13)6(3-11)10(5)2-4/h4-8,11-13H,1-3H2/t4-,5-,6-,7-,8-/m1/s1
InChIKeyBFECHUAZUACWEL-FMDGEEDCSA-N
MW191.20 g/mol
LogP-1.50
Rot. Bonds1

About (1R,2R,3R,6R,8R)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol

(1R,2R,3R,6R,8R)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol (PubChem CID 171355341) has the molecular formula C8H14FNO3 and a molecular weight of 191.20 g/mol. Its IUPAC name is (1R,2R,3R,6R,8R)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol.

Molecular Properties

Compound Name(1R,2R,3R,6R,8R)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
PubChem CID171355341
Molecular FormulaC8H14FNO3
Molecular Weight191.20 g/mol
Exact Mass191.10
IUPAC Name(1R,2R,3R,6R,8R)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)[C@H]2C[C@@H](F)CN12
InChIInChI=1S/C8H14FNO3/c9-4-1-5-7(12)8(13)6(3-11)10(5)2-4/h4-8,11-13H,1-3H2/t4-,5-,6-,7-,8-/m1/s1
InChIKeyBFECHUAZUACWEL-FMDGEEDCSA-N
XLogP-1.50
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
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,2R,3R,6R,8R)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,6R,8R)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol?
The IUPAC name of (1R,2R,3R,6R,8R)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol (CID 171355341) is (1R,2R,3R,6R,8R)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol.
What is the SMILES notation for (1R,2R,3R,6R,8R)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol?
The canonical SMILES for (1R,2R,3R,6R,8R)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol is OC[C@@H]1[C@@H](O)[C@H](O)[C@H]2C[C@@H](F)CN12.
What is the InChIKey of (1R,2R,3R,6R,8R)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol?
The InChIKey is BFECHUAZUACWEL-FMDGEEDCSA-N. The full InChI is InChI=1S/C8H14FNO3/c9-4-1-5-7(12)8(13)6(3-11)10(5)2-4/h4-8,11-13H,1-3H2/t4-,5-,6-,7-,8-/m1/s1.
What are the key properties of (1R,2R,3R,6R,8R)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol?
(1R,2R,3R,6R,8R)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol has a molecular weight of 191.20 g/mol, XLogP of -1.50, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,6R,8R)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol is sourced from PubChem (CID 171355341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).