3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol

C8H14FNO3 — CID 130149283

IUPAC3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
SMILESOC1CCN2C(CF)C(O)C(O)C12
InChIInChI=1S/C8H14FNO3/c9-3-4-7(12)8(13)6-5(11)1-2-10(4)6/h4-8,11-13H,1-3H2
InChIKeyNDCRDFUJQIYIKD-UHFFFAOYSA-N
MW191.20 g/mol
LogP-1.50
Rot. Bonds1

About 3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol

3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol (PubChem CID 130149283) has the molecular formula C8H14FNO3 and a molecular weight of 191.20 g/mol. Its IUPAC name is 3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol.

Molecular Properties

Compound Name3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
PubChem CID130149283
Molecular FormulaC8H14FNO3
Molecular Weight191.20 g/mol
Exact Mass191.10
IUPAC Name3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
SMILESOC1CCN2C(CF)C(O)C(O)C12
InChIInChI=1S/C8H14FNO3/c9-3-4-7(12)8(13)6-5(11)1-2-10(4)6/h4-8,11-13H,1-3H2
InChIKeyNDCRDFUJQIYIKD-UHFFFAOYSA-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 3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2R,3R,7S,8R)-3-(aminomethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 171720870
(1R,2R,3R,7S)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 16760066
(1S,2R,3R,7R,8S)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 14164816
N-[[(1R,2R,3R,7S,8R)-1,2,7-trihydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl]acetamide
CID 91864564
(1R,2R,3R,8S,8aR)-3-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol
CID 10774503
(1R,2R,3S,7S,8R)-1,2,7-trihydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid
CID 14863933
(1S,6S,7S,8R,8aR)-6-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7,8-triol
CID 14636219
(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)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol
CID 130756850
(1S,2R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid
CID 59125271
N-[3-[[(1S,2R,3R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]methoxy]propyl]acetamide
CID 10946588
(1R,2S,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 11252155

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol?
The IUPAC name of 3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol (CID 130149283) is 3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol.
What is the SMILES notation for 3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol?
The canonical SMILES for 3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol is OC1CCN2C(CF)C(O)C(O)C12.
What is the InChIKey of 3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol?
The InChIKey is NDCRDFUJQIYIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO3/c9-3-4-7(12)8(13)6-5(11)1-2-10(4)6/h4-8,11-13H,1-3H2.
What are the key properties of 3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol?
3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol 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 3-(fluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol is sourced from PubChem (CID 130149283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).