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

C7H11F2N — CID 96581646

IUPAC(3aS,6aS)-4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESFC1(F)CC[C@@H]2CNC[C@H]21
InChIInChI=1S/C7H11F2N/c8-7(9)2-1-5-3-10-4-6(5)7/h5-6,10H,1-4H2/t5-,6-/m1/s1
InChIKeyAXWZHQLOPCLIMR-PHDIDXHHSA-N
MW147.17 g/mol
LogP1.25
Rot. Bonds

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

(3aS,6aS)-4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 96581646) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is (3aS,6aS)-4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name(3aS,6aS)-4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID96581646
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(3aS,6aS)-4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESFC1(F)CC[C@@H]2CNC[C@H]21
InChIInChI=1S/C7H11F2N/c8-7(9)2-1-5-3-10-4-6(5)7/h5-6,10H,1-4H2/t5-,6-/m1/s1
InChIKeyAXWZHQLOPCLIMR-PHDIDXHHSA-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 (3aS,6aS)-4,4-difluoro-2,3,3a,5,6,6a-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

Related Compounds

(3aR,7aS)-7,7-difluoro-1,2,3,3a,4,5,6,7a-octahydroisoindole
CID 129374954
7,7-difluoro-1,2,3,3a,4,5,6,7a-octahydroisoindole;hydrochloride
CID 146049546
(4aR,8aS)-5,5-difluoro-2,3,4,4a,6,7,8,8a-octahydro-1H-isoquinoline;hydrochloride
CID 155819804
[(3aS,6aS)-4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(azetidin-3-yl)methanone
CID 129499777
[(3aR,6aS)-4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(azetidin-3-yl)methanone
CID 129499772
(1R,5S)-6,6-difluoro-3-azabicyclo[3.1.0]hexane
CID 51900833
ethane;8-methyl-3-azabicyclo[3.2.1]octane
CID 155722306
6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane
CID 130919289
(1S,5S)-3-azabicyclo[3.2.0]heptane
CID 86330104
5,5-dimethyl-1,2,3,4,4a,6,7,7a-octahydrocyclopenta[c]pyridine
CID 176945855
(3aS,6aR)-4,4-difluoro-2-methyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 177157131
3,3-difluoro-4-(thian-4-yl)pyrrolidine
CID 115025330

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of (3aS,6aS)-4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 96581646) is (3aS,6aS)-4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for (3aS,6aS)-4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for (3aS,6aS)-4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is FC1(F)CC[C@@H]2CNC[C@H]21.
What is the InChIKey of (3aS,6aS)-4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is AXWZHQLOPCLIMR-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H11F2N/c8-7(9)2-1-5-3-10-4-6(5)7/h5-6,10H,1-4H2/t5-,6-/m1/s1.
What are the key properties of (3aS,6aS)-4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
(3aS,6aS)-4,4-difluoro-2,3,3a,5,6,6a-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 (3aS,6aS)-4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 96581646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).