(6R,8S)-6-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-ol

C9H16FNO2 — CID 167294905

IUPAC(6R,8S)-6-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-ol
SMILESCOC[C@@]12CCC(O)N1C[C@H](F)C2
InChIInChI=1S/C9H16FNO2/c1-13-6-9-3-2-8(12)11(9)5-7(10)4-9/h7-8,12H,2-6H2,1H3/t7-,8?,9+/m1/s1
InChIKeyPWGIOPYVCPBELB-NBXIYJJMSA-N
MW189.23 g/mol
LogP0.53
Rot. Bonds2

About (6R,8S)-6-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-ol

(6R,8S)-6-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-ol (PubChem CID 167294905) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is (6R,8S)-6-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-ol.

Molecular Properties

Compound Name(6R,8S)-6-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-ol
PubChem CID167294905
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name(6R,8S)-6-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-ol
SMILESCOC[C@@]12CCC(O)N1C[C@H](F)C2
InChIInChI=1S/C9H16FNO2/c1-13-6-9-3-2-8(12)11(9)5-7(10)4-9/h7-8,12H,2-6H2,1H3/t7-,8?,9+/m1/s1
InChIKeyPWGIOPYVCPBELB-NBXIYJJMSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R,8S)-6-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-ol?
The IUPAC name of (6R,8S)-6-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-ol (CID 167294905) is (6R,8S)-6-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-ol.
What is the SMILES notation for (6R,8S)-6-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-ol?
The canonical SMILES for (6R,8S)-6-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-ol is COC[C@@]12CCC(O)N1C[C@H](F)C2.
What is the InChIKey of (6R,8S)-6-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-ol?
The InChIKey is PWGIOPYVCPBELB-NBXIYJJMSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-13-6-9-3-2-8(12)11(9)5-7(10)4-9/h7-8,12H,2-6H2,1H3/t7-,8?,9+/m1/s1.
What are the key properties of (6R,8S)-6-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-ol?
(6R,8S)-6-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-ol has a molecular weight of 189.23 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8S)-6-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-ol is sourced from PubChem (CID 167294905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).