1-fluoro-7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one

C20H19FN2O — CID 155186187

IUPAC1-fluoro-7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one
SMILESCN1CC2CN(c3ccc4c(c3)C(=O)c3c(F)cccc3-4)CC2C1
InChIInChI=1S/C20H19FN2O/c1-22-8-12-10-23(11-13(12)9-22)14-5-6-15-16-3-2-4-18(21)19(16)20(24)17(15)7-14/h2-7,12-13H,8-11H2,1H3
InChIKeyPBPIHVFJISKYDY-UHFFFAOYSA-N
MW322.38 g/mol
LogP3.03
Rot. Bonds1

About 1-fluoro-7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one

1-fluoro-7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one (PubChem CID 155186187) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is 1-fluoro-7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one.

Molecular Properties

Compound Name1-fluoro-7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one
PubChem CID155186187
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC Name1-fluoro-7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one
SMILESCN1CC2CN(c3ccc4c(c3)C(=O)c3c(F)cccc3-4)CC2C1
InChIInChI=1S/C20H19FN2O/c1-22-8-12-10-23(11-13(12)9-22)14-5-6-15-16-3-2-4-18(21)19(16)20(24)17(15)7-14/h2-7,12-13H,8-11H2,1H3
InChIKeyPBPIHVFJISKYDY-UHFFFAOYSA-N
XLogP3.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one?
The IUPAC name of 1-fluoro-7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one (CID 155186187) is 1-fluoro-7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one.
What is the SMILES notation for 1-fluoro-7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one?
The canonical SMILES for 1-fluoro-7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one is CN1CC2CN(c3ccc4c(c3)C(=O)c3c(F)cccc3-4)CC2C1.
What is the InChIKey of 1-fluoro-7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one?
The InChIKey is PBPIHVFJISKYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O/c1-22-8-12-10-23(11-13(12)9-22)14-5-6-15-16-3-2-4-18(21)19(16)20(24)17(15)7-14/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 1-fluoro-7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one?
1-fluoro-7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one has a molecular weight of 322.38 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)fluoren-9-one is sourced from PubChem (CID 155186187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).