2-(1,2-dihydroacenaphthylen-5-yl)-4-fluoroisoindole-1,3-dione

C20H12FNO2 — CID 3392072

IUPAC2-(1,2-dihydroacenaphthylen-5-yl)-4-fluoroisoindole-1,3-dione
SMILESO=C1c2cccc(F)c2C(=O)N1c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H12FNO2/c21-15-6-2-5-14-18(15)20(24)22(19(14)23)16-10-9-12-8-7-11-3-1-4-13(16)17(11)12/h1-6,9-10H,7-8H2
InChIKeyCUQVVHQIMVGIGE-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.88
Rot. Bonds1

About 2-(1,2-dihydroacenaphthylen-5-yl)-4-fluoroisoindole-1,3-dione

2-(1,2-dihydroacenaphthylen-5-yl)-4-fluoroisoindole-1,3-dione (PubChem CID 3392072) has the molecular formula C20H12FNO2 and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-(1,2-dihydroacenaphthylen-5-yl)-4-fluoroisoindole-1,3-dione.

Molecular Properties

Compound Name2-(1,2-dihydroacenaphthylen-5-yl)-4-fluoroisoindole-1,3-dione
PubChem CID3392072
Molecular FormulaC20H12FNO2
Molecular Weight317.32 g/mol
Exact Mass317.09
IUPAC Name2-(1,2-dihydroacenaphthylen-5-yl)-4-fluoroisoindole-1,3-dione
SMILESO=C1c2cccc(F)c2C(=O)N1c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H12FNO2/c21-15-6-2-5-14-18(15)20(24)22(19(14)23)16-10-9-12-8-7-11-3-1-4-13(16)17(11)12/h1-6,9-10H,7-8H2
InChIKeyCUQVVHQIMVGIGE-UHFFFAOYSA-N
XLogP3.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroacenaphthylen-5-yl)-4-fluoroisoindole-1,3-dione?
The IUPAC name of 2-(1,2-dihydroacenaphthylen-5-yl)-4-fluoroisoindole-1,3-dione (CID 3392072) is 2-(1,2-dihydroacenaphthylen-5-yl)-4-fluoroisoindole-1,3-dione.
What is the SMILES notation for 2-(1,2-dihydroacenaphthylen-5-yl)-4-fluoroisoindole-1,3-dione?
The canonical SMILES for 2-(1,2-dihydroacenaphthylen-5-yl)-4-fluoroisoindole-1,3-dione is O=C1c2cccc(F)c2C(=O)N1c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 2-(1,2-dihydroacenaphthylen-5-yl)-4-fluoroisoindole-1,3-dione?
The InChIKey is CUQVVHQIMVGIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FNO2/c21-15-6-2-5-14-18(15)20(24)22(19(14)23)16-10-9-12-8-7-11-3-1-4-13(16)17(11)12/h1-6,9-10H,7-8H2.
What are the key properties of 2-(1,2-dihydroacenaphthylen-5-yl)-4-fluoroisoindole-1,3-dione?
2-(1,2-dihydroacenaphthylen-5-yl)-4-fluoroisoindole-1,3-dione has a molecular weight of 317.32 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroacenaphthylen-5-yl)-4-fluoroisoindole-1,3-dione is sourced from PubChem (CID 3392072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).