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

C9H14FNO — CID 166984346

IUPAC7-fluoro-8-(methoxymethyl)-1,2,3,5-tetrahydropyrrolizine
SMILESCOCC12CCCN1CC=C2F
InChIInChI=1S/C9H14FNO/c1-12-7-9-4-2-5-11(9)6-3-8(9)10/h3H,2,4-7H2,1H3
InChIKeyGBAUGEDLYIRLSJ-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.33
Rot. Bonds2

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

7-fluoro-8-(methoxymethyl)-1,2,3,5-tetrahydropyrrolizine (PubChem CID 166984346) has the molecular formula C9H14FNO and a molecular weight of 171.22 g/mol. Its IUPAC name is 7-fluoro-8-(methoxymethyl)-1,2,3,5-tetrahydropyrrolizine.

Molecular Properties

Compound Name7-fluoro-8-(methoxymethyl)-1,2,3,5-tetrahydropyrrolizine
PubChem CID166984346
Molecular FormulaC9H14FNO
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC Name7-fluoro-8-(methoxymethyl)-1,2,3,5-tetrahydropyrrolizine
SMILESCOCC12CCCN1CC=C2F
InChIInChI=1S/C9H14FNO/c1-12-7-9-4-2-5-11(9)6-3-8(9)10/h3H,2,4-7H2,1H3
InChIKeyGBAUGEDLYIRLSJ-UHFFFAOYSA-N
XLogP1.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-(methoxymethyl)-1,2,3,5-tetrahydropyrrolizine?
The IUPAC name of 7-fluoro-8-(methoxymethyl)-1,2,3,5-tetrahydropyrrolizine (CID 166984346) is 7-fluoro-8-(methoxymethyl)-1,2,3,5-tetrahydropyrrolizine.
What is the SMILES notation for 7-fluoro-8-(methoxymethyl)-1,2,3,5-tetrahydropyrrolizine?
The canonical SMILES for 7-fluoro-8-(methoxymethyl)-1,2,3,5-tetrahydropyrrolizine is COCC12CCCN1CC=C2F.
What is the InChIKey of 7-fluoro-8-(methoxymethyl)-1,2,3,5-tetrahydropyrrolizine?
The InChIKey is GBAUGEDLYIRLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c1-12-7-9-4-2-5-11(9)6-3-8(9)10/h3H,2,4-7H2,1H3.
What are the key properties of 7-fluoro-8-(methoxymethyl)-1,2,3,5-tetrahydropyrrolizine?
7-fluoro-8-(methoxymethyl)-1,2,3,5-tetrahydropyrrolizine has a molecular weight of 171.22 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-(methoxymethyl)-1,2,3,5-tetrahydropyrrolizine is sourced from PubChem (CID 166984346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).