(8-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methanol

C9H16FNO — CID 105435531

IUPAC(8-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methanol
SMILESOCC1CCN2CCCC2C1F
InChIInChI=1S/C9H16FNO/c10-9-7(6-12)3-5-11-4-1-2-8(9)11/h7-9,12H,1-6H2
InChIKeyGYZNOBGNAQGBQK-UHFFFAOYSA-N
MW173.23 g/mol
LogP0.80
Rot. Bonds1

About (8-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methanol

(8-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methanol (PubChem CID 105435531) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (8-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methanol.

Molecular Properties

Compound Name(8-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methanol
PubChem CID105435531
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(8-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methanol
SMILESOCC1CCN2CCCC2C1F
InChIInChI=1S/C9H16FNO/c10-9-7(6-12)3-5-11-4-1-2-8(9)11/h7-9,12H,1-6H2
InChIKeyGYZNOBGNAQGBQK-UHFFFAOYSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methanol?
The IUPAC name of (8-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methanol (CID 105435531) is (8-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methanol.
What is the SMILES notation for (8-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methanol?
The canonical SMILES for (8-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methanol is OCC1CCN2CCCC2C1F.
What is the InChIKey of (8-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methanol?
The InChIKey is GYZNOBGNAQGBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c10-9-7(6-12)3-5-11-4-1-2-8(9)11/h7-9,12H,1-6H2.
What are the key properties of (8-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methanol?
(8-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methanol has a molecular weight of 173.23 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)methanol is sourced from PubChem (CID 105435531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).