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

C9H16FNO2 — CID 168881128

IUPAC[(2R,6S,8S)-2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
SMILESCO[C@@H]1CN2C[C@H](F)C[C@]2(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/t7-,8+,9-/m1/s1
InChIKeyVIYFOIZGOYNJCC-HRDYMLBCSA-N
MW189.23 g/mol
LogP0.18
Rot. Bonds2

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

[(2R,6S,8S)-2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol (PubChem CID 168881128) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is [(2R,6S,8S)-2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol.

Molecular Properties

Compound Name[(2R,6S,8S)-2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
PubChem CID168881128
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name[(2R,6S,8S)-2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
SMILESCO[C@@H]1CN2C[C@H](F)C[C@]2(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/t7-,8+,9-/m1/s1
InChIKeyVIYFOIZGOYNJCC-HRDYMLBCSA-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 [(2R,6S,8S)-2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The IUPAC name of [(2R,6S,8S)-2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol (CID 168881128) is [(2R,6S,8S)-2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol.
What is the SMILES notation for [(2R,6S,8S)-2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The canonical SMILES for [(2R,6S,8S)-2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol is CO[C@@H]1CN2C[C@H](F)C[C@]2(CO)C1.
What is the InChIKey of [(2R,6S,8S)-2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The InChIKey is VIYFOIZGOYNJCC-HRDYMLBCSA-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/t7-,8+,9-/m1/s1.
What are the key properties of [(2R,6S,8S)-2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
[(2R,6S,8S)-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 [(2R,6S,8S)-2-fluoro-6-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol is sourced from PubChem (CID 168881128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).