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

C11H20FN — CID 163977859

IUPAC2-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)CC12CCCN1CC(F)C2
InChIInChI=1S/C11H20FN/c1-9(2)6-11-4-3-5-13(11)8-10(12)7-11/h9-10H,3-8H2,1-2H3
InChIKeyYDXPWRMIHUPXCY-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.61
Rot. Bonds2

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

2-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 163977859) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name2-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID163977859
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name2-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)CC12CCCN1CC(F)C2
InChIInChI=1S/C11H20FN/c1-9(2)6-11-4-3-5-13(11)8-10(12)7-11/h9-10H,3-8H2,1-2H3
InChIKeyYDXPWRMIHUPXCY-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 2-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 163977859) is 2-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 2-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 2-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine is CC(C)CC12CCCN1CC(F)C2.
What is the InChIKey of 2-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is YDXPWRMIHUPXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-9(2)6-11-4-3-5-13(11)8-10(12)7-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine?
2-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 185.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 163977859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).