6-fluoro-8-methyl-1,2,3,5-tetrahydropyrrolizine

C8H12FN — CID 166984319

IUPAC6-fluoro-8-methyl-1,2,3,5-tetrahydropyrrolizine
SMILESCC12C=C(F)CN1CCC2
InChIInChI=1S/C8H12FN/c1-8-3-2-4-10(8)6-7(9)5-8/h5H,2-4,6H2,1H3
InChIKeyYZAHCZZPASGJGC-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.71
Rot. Bonds

About 6-fluoro-8-methyl-1,2,3,5-tetrahydropyrrolizine

6-fluoro-8-methyl-1,2,3,5-tetrahydropyrrolizine (PubChem CID 166984319) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 6-fluoro-8-methyl-1,2,3,5-tetrahydropyrrolizine.

Molecular Properties

Compound Name6-fluoro-8-methyl-1,2,3,5-tetrahydropyrrolizine
PubChem CID166984319
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name6-fluoro-8-methyl-1,2,3,5-tetrahydropyrrolizine
SMILESCC12C=C(F)CN1CCC2
InChIInChI=1S/C8H12FN/c1-8-3-2-4-10(8)6-7(9)5-8/h5H,2-4,6H2,1H3
InChIKeyYZAHCZZPASGJGC-UHFFFAOYSA-N
XLogP1.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-Fluoro-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine
CID 163418061
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
8-Ethyl-7-fluoro-1,2,3,5-tetrahydropyrrolizine
CID 166984255
6-Fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine
CID 166984259
8-Ethyl-6-fluoro-1,2,3,5-tetrahydropyrrolizine
CID 166984390
(2R,8S)-2-fluoro-8-propan-2-yl-6-(trifluoromethyl)-1,2,3,5-tetrahydropyrrolizine
CID 172287808
(2R,8R)-8-ethyl-2-fluoro-1,2,3,5-tetrahydropyrrolizine
CID 172287810
2-Fluoro-8-methyl-1,2,3,5-tetrahydropyrrolizine
CID 172287917
(2R,8R)-8-ethyl-2-fluoro-6-methyl-1,2,3,5-tetrahydropyrrolizine
CID 172288637
(2R,8R)-2-fluoro-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine
CID 172289124
(2R,8R)-2-fluoro-6-methyl-8-(2-methylpropyl)-1,2,3,5-tetrahydropyrrolizine
CID 176776178

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methyl-1,2,3,5-tetrahydropyrrolizine?
The IUPAC name of 6-fluoro-8-methyl-1,2,3,5-tetrahydropyrrolizine (CID 166984319) is 6-fluoro-8-methyl-1,2,3,5-tetrahydropyrrolizine.
What is the SMILES notation for 6-fluoro-8-methyl-1,2,3,5-tetrahydropyrrolizine?
The canonical SMILES for 6-fluoro-8-methyl-1,2,3,5-tetrahydropyrrolizine is CC12C=C(F)CN1CCC2.
What is the InChIKey of 6-fluoro-8-methyl-1,2,3,5-tetrahydropyrrolizine?
The InChIKey is YZAHCZZPASGJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-8-3-2-4-10(8)6-7(9)5-8/h5H,2-4,6H2,1H3.
What are the key properties of 6-fluoro-8-methyl-1,2,3,5-tetrahydropyrrolizine?
6-fluoro-8-methyl-1,2,3,5-tetrahydropyrrolizine has a molecular weight of 141.19 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-methyl-1,2,3,5-tetrahydropyrrolizine is sourced from PubChem (CID 166984319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).