(3aR,6aS)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C7H11F2N — CID 55283150

IUPAC(3aR,6aS)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESFC1(F)C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C7H11F2N/c8-7(9)1-5-3-10-4-6(5)2-7/h5-6,10H,1-4H2/t5-,6+
InChIKeyHQFKSNZDIHXZME-OLQVQODUSA-N
MW147.17 g/mol
LogP1.25
Rot. Bonds

About (3aR,6aS)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

(3aR,6aS)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 55283150) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is (3aR,6aS)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name(3aR,6aS)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID55283150
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(3aR,6aS)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESFC1(F)C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C7H11F2N/c8-7(9)1-5-3-10-4-6(5)2-7/h5-6,10H,1-4H2/t5-,6+
InChIKeyHQFKSNZDIHXZME-OLQVQODUSA-N
XLogP1.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3aR,6aS)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of (3aR,6aS)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 55283150) is (3aR,6aS)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for (3aR,6aS)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for (3aR,6aS)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is FC1(F)C[C@H]2CNC[C@H]2C1.
What is the InChIKey of (3aR,6aS)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is HQFKSNZDIHXZME-OLQVQODUSA-N. The full InChI is InChI=1S/C7H11F2N/c8-7(9)1-5-3-10-4-6(5)2-7/h5-6,10H,1-4H2/t5-,6+.
What are the key properties of (3aR,6aS)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
(3aR,6aS)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 147.17 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 55283150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).