2-[2,6-di(propan-2-yl)phenyl]-5-fluoroisoindole-1,3-dione

C20H20FNO2 — CID 14071293

IUPAC2-[2,6-di(propan-2-yl)phenyl]-5-fluoroisoindole-1,3-dione
SMILESCC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(F)cc2C1=O
InChIInChI=1S/C20H20FNO2/c1-11(2)14-6-5-7-15(12(3)4)18(14)22-19(23)16-9-8-13(21)10-17(16)20(22)24/h5-12H,1-4H3
InChIKeyASMQYFJUHZBFQX-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.87
Rot. Bonds3

About 2-[2,6-di(propan-2-yl)phenyl]-5-fluoroisoindole-1,3-dione

2-[2,6-di(propan-2-yl)phenyl]-5-fluoroisoindole-1,3-dione (PubChem CID 14071293) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is 2-[2,6-di(propan-2-yl)phenyl]-5-fluoroisoindole-1,3-dione.

Molecular Properties

Compound Name2-[2,6-di(propan-2-yl)phenyl]-5-fluoroisoindole-1,3-dione
PubChem CID14071293
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC Name2-[2,6-di(propan-2-yl)phenyl]-5-fluoroisoindole-1,3-dione
SMILESCC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(F)cc2C1=O
InChIInChI=1S/C20H20FNO2/c1-11(2)14-6-5-7-15(12(3)4)18(14)22-19(23)16-9-8-13(21)10-17(16)20(22)24/h5-12H,1-4H3
InChIKeyASMQYFJUHZBFQX-UHFFFAOYSA-N
XLogP4.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Phenylphthalimide
CID 68215
2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione
CID 94776
N-1-Naphthylphthalimide
CID 79252
2,6-Dimethylphenylphthalimide
CID 73324
Cps 49
CID 9905583
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-o-tolyl-propionamide
CID 721309
2-[4-(dimethylamino)phenyl]-1H-isoindole-1,3(2H)-dione
CID 748674
N-(2,6-di(propan-2-yl)phenyl)benzamide
CID 709320
N-(2,4-Dimethyl-phenyl)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetamide
CID 2785144
4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile
CID 25113145
2-[4-(dimethylamino)phenyl]-5-fluoro-3H-isoindol-1-one
CID 25266662
2-[4-(dimethylamino)phenyl]-6-methyl-3H-isoindol-1-one
CID 25266665

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-di(propan-2-yl)phenyl]-5-fluoroisoindole-1,3-dione?
The IUPAC name of 2-[2,6-di(propan-2-yl)phenyl]-5-fluoroisoindole-1,3-dione (CID 14071293) is 2-[2,6-di(propan-2-yl)phenyl]-5-fluoroisoindole-1,3-dione.
What is the SMILES notation for 2-[2,6-di(propan-2-yl)phenyl]-5-fluoroisoindole-1,3-dione?
The canonical SMILES for 2-[2,6-di(propan-2-yl)phenyl]-5-fluoroisoindole-1,3-dione is CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(F)cc2C1=O.
What is the InChIKey of 2-[2,6-di(propan-2-yl)phenyl]-5-fluoroisoindole-1,3-dione?
The InChIKey is ASMQYFJUHZBFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2/c1-11(2)14-6-5-7-15(12(3)4)18(14)22-19(23)16-9-8-13(21)10-17(16)20(22)24/h5-12H,1-4H3.
What are the key properties of 2-[2,6-di(propan-2-yl)phenyl]-5-fluoroisoindole-1,3-dione?
2-[2,6-di(propan-2-yl)phenyl]-5-fluoroisoindole-1,3-dione has a molecular weight of 325.38 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-di(propan-2-yl)phenyl]-5-fluoroisoindole-1,3-dione is sourced from PubChem (CID 14071293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).