(3aR,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

C7H12FN — CID 55279177

IUPAC(3aR,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESFC1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C7H12FN/c8-7-1-5-3-9-4-6(5)2-7/h5-7,9H,1-4H2/t5-,6+,7?
InChIKeyJARJBXACNCCARV-MEKDEQNOSA-N
MW129.18 g/mol
LogP0.95
Rot. Bonds

About (3aR,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

(3aR,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (PubChem CID 55279177) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (3aR,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name(3aR,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
PubChem CID55279177
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(3aR,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESFC1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C7H12FN/c8-7-1-5-3-9-4-6(5)2-7/h5-7,9H,1-4H2/t5-,6+,7?
InChIKeyJARJBXACNCCARV-MEKDEQNOSA-N
XLogP0.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The IUPAC name of (3aR,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (CID 55279177) is (3aR,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.
What is the SMILES notation for (3aR,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The canonical SMILES for (3aR,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is FC1C[C@H]2CNC[C@H]2C1.
What is the InChIKey of (3aR,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The InChIKey is JARJBXACNCCARV-MEKDEQNOSA-N. The full InChI is InChI=1S/C7H12FN/c8-7-1-5-3-9-4-6(5)2-7/h5-7,9H,1-4H2/t5-,6+,7?.
What are the key properties of (3aR,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
(3aR,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole has a molecular weight of 129.18 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 55279177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).