(2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol

C9H16FNO2 — CID 167162165

IUPAC(2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol
SMILESCOC1CN2CC(F)CC2(CO)C1
InChIInChI=1S/C9H16FNO2/c1-13-8-3-9(6-12)2-7(10)4-11(9)5-8/h7-8,12H,2-6H2,1H3
InChIKeyVIYFOIZGOYNJCC-UHFFFAOYSA-N
MW189.23 g/mol
LogP0.18
Rot. Bonds2

About (2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol

(2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol (PubChem CID 167162165) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is (2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol
PubChem CID167162165
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name(2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol
SMILESCOC1CN2CC(F)CC2(CO)C1
InChIInChI=1S/C9H16FNO2/c1-13-8-3-9(6-12)2-7(10)4-11(9)5-8/h7-8,12H,2-6H2,1H3
InChIKeyVIYFOIZGOYNJCC-UHFFFAOYSA-N
XLogP0.18
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol?
The IUPAC name of (2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol (CID 167162165) is (2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol.
What is the SMILES notation for (2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol?
The canonical SMILES for (2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol is COC1CN2CC(F)CC2(CO)C1.
What is the InChIKey of (2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol?
The InChIKey is VIYFOIZGOYNJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-13-8-3-9(6-12)2-7(10)4-11(9)5-8/h7-8,12H,2-6H2,1H3.
What are the key properties of (2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol?
(2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol has a molecular weight of 189.23 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol is sourced from PubChem (CID 167162165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).