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

C9H16FNO — CID 156898417

IUPAC2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCOCC12CCCN1CC(F)C2
InChIInChI=1S/C9H16FNO/c1-12-7-9-3-2-4-11(9)6-8(10)5-9/h8H,2-7H2,1H3
InChIKeyIEPHYNFFODXCID-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.21
Rot. Bonds2

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

2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 156898417) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID156898417
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCOCC12CCCN1CC(F)C2
InChIInChI=1S/C9H16FNO/c1-12-7-9-3-2-4-11(9)6-8(10)5-9/h8H,2-7H2,1H3
InChIKeyIEPHYNFFODXCID-UHFFFAOYSA-N
XLogP1.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 156898417) is 2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is COCC12CCCN1CC(F)C2.
What is the InChIKey of 2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is IEPHYNFFODXCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-12-7-9-3-2-4-11(9)6-8(10)5-9/h8H,2-7H2,1H3.
What are the key properties of 2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 173.23 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 156898417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).