6-fluoro-3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole

C8H14FN — CID 123338489

IUPAC6-fluoro-3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
SMILESCC1CNC2C(F)CCC12
InChIInChI=1S/C8H14FN/c1-5-4-10-8-6(5)2-3-7(8)9/h5-8,10H,2-4H2,1H3
InChIKeyHNOTZJZGTFFHOM-UHFFFAOYSA-N
MW143.20 g/mol
LogP1.34
Rot. Bonds

About 6-fluoro-3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole

6-fluoro-3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole (PubChem CID 123338489) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is 6-fluoro-3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole.

Molecular Properties

Compound Name6-fluoro-3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
PubChem CID123338489
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name6-fluoro-3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
SMILESCC1CNC2C(F)CCC12
InChIInChI=1S/C8H14FN/c1-5-4-10-8-6(5)2-3-7(8)9/h5-8,10H,2-4H2,1H3
InChIKeyHNOTZJZGTFFHOM-UHFFFAOYSA-N
XLogP1.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole?
The IUPAC name of 6-fluoro-3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole (CID 123338489) is 6-fluoro-3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole.
What is the SMILES notation for 6-fluoro-3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole?
The canonical SMILES for 6-fluoro-3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole is CC1CNC2C(F)CCC12.
What is the InChIKey of 6-fluoro-3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole?
The InChIKey is HNOTZJZGTFFHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c1-5-4-10-8-6(5)2-3-7(8)9/h5-8,10H,2-4H2,1H3.
What are the key properties of 6-fluoro-3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole?
6-fluoro-3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole has a molecular weight of 143.20 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole is sourced from PubChem (CID 123338489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).