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

C8H15FN2 — CID 171531719

IUPAC(3aR,6aR)-3a-fluoro-2,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCC1C[C@@]2(F)CN(C)C[C@H]2N1
InChIInChI=1S/C8H15FN2/c1-6-3-8(9)5-11(2)4-7(8)10-6/h6-7,10H,3-5H2,1-2H3/t6?,7-,8-/m1/s1
InChIKeyHKOAVHYSQJUPLY-SPDVFEMOSA-N
MW158.22 g/mol
LogP0.39
Rot. Bonds

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

(3aR,6aR)-3a-fluoro-2,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (PubChem CID 171531719) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is (3aR,6aR)-3a-fluoro-2,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name(3aR,6aR)-3a-fluoro-2,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
PubChem CID171531719
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name(3aR,6aR)-3a-fluoro-2,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCC1C[C@@]2(F)CN(C)C[C@H]2N1
InChIInChI=1S/C8H15FN2/c1-6-3-8(9)5-11(2)4-7(8)10-6/h6-7,10H,3-5H2,1-2H3/t6?,7-,8-/m1/s1
InChIKeyHKOAVHYSQJUPLY-SPDVFEMOSA-N
XLogP0.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aR,6aR)-3a-fluoro-2,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-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,6aR)-3a-fluoro-2,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The IUPAC name of (3aR,6aR)-3a-fluoro-2,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (CID 171531719) is (3aR,6aR)-3a-fluoro-2,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.
What is the SMILES notation for (3aR,6aR)-3a-fluoro-2,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The canonical SMILES for (3aR,6aR)-3a-fluoro-2,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is CC1C[C@@]2(F)CN(C)C[C@H]2N1.
What is the InChIKey of (3aR,6aR)-3a-fluoro-2,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The InChIKey is HKOAVHYSQJUPLY-SPDVFEMOSA-N. The full InChI is InChI=1S/C8H15FN2/c1-6-3-8(9)5-11(2)4-7(8)10-6/h6-7,10H,3-5H2,1-2H3/t6?,7-,8-/m1/s1.
What are the key properties of (3aR,6aR)-3a-fluoro-2,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
(3aR,6aR)-3a-fluoro-2,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole has a molecular weight of 158.22 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-3a-fluoro-2,5-dimethyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 171531719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).