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

C19H21FN2 — CID 24743584

IUPAC(3aR,6aR)-1-[4-(4-fluorophenyl)phenyl]-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCN1C[C@H]2CCN(c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1
InChIInChI=1S/C19H21FN2/c1-21-12-16-10-11-22(19(16)13-21)18-8-4-15(5-9-18)14-2-6-17(20)7-3-14/h2-9,16,19H,10-13H2,1H3/t16-,19+/m1/s1
InChIKeyRARIGTIXOLFMAK-APWZRJJASA-N
MW296.39 g/mol
LogP3.63
Rot. Bonds2

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

(3aR,6aR)-1-[4-(4-fluorophenyl)phenyl]-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (PubChem CID 24743584) has the molecular formula C19H21FN2 and a molecular weight of 296.39 g/mol. Its IUPAC name is (3aR,6aR)-1-[4-(4-fluorophenyl)phenyl]-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name(3aR,6aR)-1-[4-(4-fluorophenyl)phenyl]-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
PubChem CID24743584
Molecular FormulaC19H21FN2
Molecular Weight296.39 g/mol
Exact Mass296.17
IUPAC Name(3aR,6aR)-1-[4-(4-fluorophenyl)phenyl]-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCN1C[C@H]2CCN(c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1
InChIInChI=1S/C19H21FN2/c1-21-12-16-10-11-22(19(16)13-21)18-8-4-15(5-9-18)14-2-6-17(20)7-3-14/h2-9,16,19H,10-13H2,1H3/t16-,19+/m1/s1
InChIKeyRARIGTIXOLFMAK-APWZRJJASA-N
XLogP3.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-1-[4-(4-fluorophenyl)phenyl]-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The IUPAC name of (3aR,6aR)-1-[4-(4-fluorophenyl)phenyl]-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (CID 24743584) is (3aR,6aR)-1-[4-(4-fluorophenyl)phenyl]-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.
What is the SMILES notation for (3aR,6aR)-1-[4-(4-fluorophenyl)phenyl]-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The canonical SMILES for (3aR,6aR)-1-[4-(4-fluorophenyl)phenyl]-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is CN1C[C@H]2CCN(c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1.
What is the InChIKey of (3aR,6aR)-1-[4-(4-fluorophenyl)phenyl]-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The InChIKey is RARIGTIXOLFMAK-APWZRJJASA-N. The full InChI is InChI=1S/C19H21FN2/c1-21-12-16-10-11-22(19(16)13-21)18-8-4-15(5-9-18)14-2-6-17(20)7-3-14/h2-9,16,19H,10-13H2,1H3/t16-,19+/m1/s1.
What are the key properties of (3aR,6aR)-1-[4-(4-fluorophenyl)phenyl]-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
(3aR,6aR)-1-[4-(4-fluorophenyl)phenyl]-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole has a molecular weight of 296.39 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-1-[4-(4-fluorophenyl)phenyl]-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 24743584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).