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

C11H18FN — CID 163418061

IUPAC7-fluoro-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine
SMILESCC(C)CC12CCCN1CC=C2F
InChIInChI=1S/C11H18FN/c1-9(2)8-11-5-3-6-13(11)7-4-10(11)12/h4,9H,3,5-8H2,1-2H3
InChIKeyAGCQKBCSINGACJ-UHFFFAOYSA-N
MW183.27 g/mol
LogP2.73
Rot. Bonds2

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

7-fluoro-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine (PubChem CID 163418061) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 7-fluoro-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine.

Molecular Properties

Compound Name7-fluoro-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine
PubChem CID163418061
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name7-fluoro-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine
SMILESCC(C)CC12CCCN1CC=C2F
InChIInChI=1S/C11H18FN/c1-9(2)8-11-5-3-6-13(11)7-4-10(11)12/h4,9H,3,5-8H2,1-2H3
InChIKeyAGCQKBCSINGACJ-UHFFFAOYSA-N
XLogP2.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-Fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpyrrolidine
CID 134386445
7-Fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine
CID 163614743
6-Fluoro-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine
CID 163977858
(6E)-6-(1-fluoroethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163977871
2-fluoro-8-[(E)-3-methylbut-1-enyl]-1,2,3,5,6,7-hexahydropyrrolizine
CID 164922407
8-Ethyl-7-fluoro-1,2,3,5-tetrahydropyrrolizine
CID 166984255
6-Fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine
CID 166984259
6-Fluoro-8-methyl-1,2,3,5-tetrahydropyrrolizine
CID 166984319
8-Ethyl-6-fluoro-1,2,3,5-tetrahydropyrrolizine
CID 166984390
7-Fluoro-3-propan-2-yl-1,2,3,5,6,8a-hexahydroindolizine
CID 170422961
8-[(E)-3,3-dimethylbut-1-enyl]-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 171590798
(2R,8R)-8-ethyl-2-fluoro-1,2,3,5-tetrahydropyrrolizine
CID 172287810

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine?
The IUPAC name of 7-fluoro-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine (CID 163418061) is 7-fluoro-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine.
What is the SMILES notation for 7-fluoro-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine?
The canonical SMILES for 7-fluoro-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine is CC(C)CC12CCCN1CC=C2F.
What is the InChIKey of 7-fluoro-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine?
The InChIKey is AGCQKBCSINGACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c1-9(2)8-11-5-3-6-13(11)7-4-10(11)12/h4,9H,3,5-8H2,1-2H3.
What are the key properties of 7-fluoro-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine?
7-fluoro-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine has a molecular weight of 183.27 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine is sourced from PubChem (CID 163418061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).