(1S,8S)-1-fluoro-8-(phenylmethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

C15H20FNO — CID 168880814

IUPAC(1S,8S)-1-fluoro-8-(phenylmethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESF[C@H]1CCN2CCC[C@]12COCc1ccccc1
InChIInChI=1S/C15H20FNO/c16-14-7-10-17-9-4-8-15(14,17)12-18-11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2/t14-,15-/m0/s1
InChIKeyQFBFPYMZHNRJJE-GJZGRUSLSA-N
MW249.33 g/mol
LogP2.78
Rot. Bonds4

About (1S,8S)-1-fluoro-8-(phenylmethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

(1S,8S)-1-fluoro-8-(phenylmethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 168880814) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is (1S,8S)-1-fluoro-8-(phenylmethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name(1S,8S)-1-fluoro-8-(phenylmethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID168880814
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name(1S,8S)-1-fluoro-8-(phenylmethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESF[C@H]1CCN2CCC[C@]12COCc1ccccc1
InChIInChI=1S/C15H20FNO/c16-14-7-10-17-9-4-8-15(14,17)12-18-11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2/t14-,15-/m0/s1
InChIKeyQFBFPYMZHNRJJE-GJZGRUSLSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,8S)-1-fluoro-8-(phenylmethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of (1S,8S)-1-fluoro-8-(phenylmethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 168880814) is (1S,8S)-1-fluoro-8-(phenylmethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for (1S,8S)-1-fluoro-8-(phenylmethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for (1S,8S)-1-fluoro-8-(phenylmethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is F[C@H]1CCN2CCC[C@]12COCc1ccccc1.
What is the InChIKey of (1S,8S)-1-fluoro-8-(phenylmethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is QFBFPYMZHNRJJE-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H20FNO/c16-14-7-10-17-9-4-8-15(14,17)12-18-11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2/t14-,15-/m0/s1.
What are the key properties of (1S,8S)-1-fluoro-8-(phenylmethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
(1S,8S)-1-fluoro-8-(phenylmethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 249.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8S)-1-fluoro-8-(phenylmethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 168880814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).