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

C7H13FN2 — CID 170581919

IUPAC(3aR,6aS)-5-fluoro-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCN1C[C@@H]2CN(F)C[C@@H]2C1
InChIInChI=1S/C7H13FN2/c1-9-2-6-4-10(8)5-7(6)3-9/h6-7H,2-5H2,1H3/t6-,7+
InChIKeyLSKAYVSZOVVMIG-KNVOCYPGSA-N
MW144.19 g/mol
LogP0.36
Rot. Bonds

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

(3aR,6aS)-5-fluoro-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 170581919) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is (3aR,6aS)-5-fluoro-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aR,6aS)-5-fluoro-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID170581919
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name(3aR,6aS)-5-fluoro-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCN1C[C@@H]2CN(F)C[C@@H]2C1
InChIInChI=1S/C7H13FN2/c1-9-2-6-4-10(8)5-7(6)3-9/h6-7H,2-5H2,1H3/t6-,7+
InChIKeyLSKAYVSZOVVMIG-KNVOCYPGSA-N
XLogP0.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze (3aR,6aS)-5-fluoro-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-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

5-Fluoro-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 89584444
(3aS,6aR)-2-methyl-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 118534904
5-(2,2-Difluoroethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 118974515
2-Methyl-5-(2,2,2-trifluoroethyl)octahydropyrrolo[3,4-c]pyrrole
CID 121185376
5-(2-Fluoroethyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 130668513
(3aR,6aR)-2-methyl-5-(trifluoromethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 170450441
(3aS)-2-methyl-5-(trifluoromethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 170450442
(3aS,6aR)-2-methyl-5-(trifluoromethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 170450443
Ethane;2-methyl-5-(trifluoromethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 170614137
Ethane;2-methyl-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 170614169
5-Fluoro-2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 176992945
2-Propyl-5-(2,2,2-trifluoroethyl)octahydropyrrolo[3,4-c]pyrrole
CID 121185700

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-5-fluoro-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of (3aR,6aS)-5-fluoro-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 170581919) is (3aR,6aS)-5-fluoro-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for (3aR,6aS)-5-fluoro-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for (3aR,6aS)-5-fluoro-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CN1C[C@@H]2CN(F)C[C@@H]2C1.
What is the InChIKey of (3aR,6aS)-5-fluoro-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is LSKAYVSZOVVMIG-KNVOCYPGSA-N. The full InChI is InChI=1S/C7H13FN2/c1-9-2-6-4-10(8)5-7(6)3-9/h6-7H,2-5H2,1H3/t6-,7+.
What are the key properties of (3aR,6aS)-5-fluoro-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
(3aR,6aS)-5-fluoro-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 144.19 g/mol, XLogP of 0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-5-fluoro-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 170581919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).