(3aS,6aR)-6,6-difluoro-1,2,3,4,5,6a-hexahydrocyclopenta[c]pyrrol-3a-amine

C7H12F2N2 — CID 89257459

IUPAC(3aS,6aR)-6,6-difluoro-1,2,3,4,5,6a-hexahydrocyclopenta[c]pyrrol-3a-amine
SMILESN[C@@]12CCC(F)(F)[C@@H]1CNC2
InChIInChI=1S/C7H12F2N2/c8-7(9)2-1-6(10)4-11-3-5(6)7/h5,11H,1-4,10H2/t5-,6-/m1/s1
InChIKeyAWKHCVVPKXOMPS-PHDIDXHHSA-N
MW162.18 g/mol
LogP0.33
Rot. Bonds

About (3aS,6aR)-6,6-difluoro-1,2,3,4,5,6a-hexahydrocyclopenta[c]pyrrol-3a-amine

(3aS,6aR)-6,6-difluoro-1,2,3,4,5,6a-hexahydrocyclopenta[c]pyrrol-3a-amine (PubChem CID 89257459) has the molecular formula C7H12F2N2 and a molecular weight of 162.18 g/mol. Its IUPAC name is (3aS,6aR)-6,6-difluoro-1,2,3,4,5,6a-hexahydrocyclopenta[c]pyrrol-3a-amine.

Molecular Properties

Compound Name(3aS,6aR)-6,6-difluoro-1,2,3,4,5,6a-hexahydrocyclopenta[c]pyrrol-3a-amine
PubChem CID89257459
Molecular FormulaC7H12F2N2
Molecular Weight162.18 g/mol
Exact Mass162.10
IUPAC Name(3aS,6aR)-6,6-difluoro-1,2,3,4,5,6a-hexahydrocyclopenta[c]pyrrol-3a-amine
SMILESN[C@@]12CCC(F)(F)[C@@H]1CNC2
InChIInChI=1S/C7H12F2N2/c8-7(9)2-1-6(10)4-11-3-5(6)7/h5,11H,1-4,10H2/t5-,6-/m1/s1
InChIKeyAWKHCVVPKXOMPS-PHDIDXHHSA-N
XLogP0.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3aS,6aR)-6,6-difluoro-1,2,3,4,5,6a-hexahydrocyclopenta[c]pyrrol-3a-amine 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 (3aS,6aR)-6,6-difluoro-1,2,3,4,5,6a-hexahydrocyclopenta[c]pyrrol-3a-amine?
The IUPAC name of (3aS,6aR)-6,6-difluoro-1,2,3,4,5,6a-hexahydrocyclopenta[c]pyrrol-3a-amine (CID 89257459) is (3aS,6aR)-6,6-difluoro-1,2,3,4,5,6a-hexahydrocyclopenta[c]pyrrol-3a-amine.
What is the SMILES notation for (3aS,6aR)-6,6-difluoro-1,2,3,4,5,6a-hexahydrocyclopenta[c]pyrrol-3a-amine?
The canonical SMILES for (3aS,6aR)-6,6-difluoro-1,2,3,4,5,6a-hexahydrocyclopenta[c]pyrrol-3a-amine is N[C@@]12CCC(F)(F)[C@@H]1CNC2.
What is the InChIKey of (3aS,6aR)-6,6-difluoro-1,2,3,4,5,6a-hexahydrocyclopenta[c]pyrrol-3a-amine?
The InChIKey is AWKHCVVPKXOMPS-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H12F2N2/c8-7(9)2-1-6(10)4-11-3-5(6)7/h5,11H,1-4,10H2/t5-,6-/m1/s1.
What are the key properties of (3aS,6aR)-6,6-difluoro-1,2,3,4,5,6a-hexahydrocyclopenta[c]pyrrol-3a-amine?
(3aS,6aR)-6,6-difluoro-1,2,3,4,5,6a-hexahydrocyclopenta[c]pyrrol-3a-amine has a molecular weight of 162.18 g/mol, XLogP of 0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-6,6-difluoro-1,2,3,4,5,6a-hexahydrocyclopenta[c]pyrrol-3a-amine is sourced from PubChem (CID 89257459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).