5-[2-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione

C23H16F6N2O4 — CID 144909699

IUPAC5-[2-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
SMILESCC(C)N1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(C)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O
InChIInChI=1S/C23H16F6N2O4/c1-10(2)31-19(34)14-7-5-12(9-16(14)20(31)35)21(22(24,25)26,23(27,28)29)11-4-6-13-15(8-11)18(33)30(3)17(13)32/h4-10H,1-3H3
InChIKeyCIPACBJZOMNNHF-UHFFFAOYSA-N
MW498.38 g/mol
LogP4.33
Rot. Bonds3

About 5-[2-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione

5-[2-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione (PubChem CID 144909699) has the molecular formula C23H16F6N2O4 and a molecular weight of 498.38 g/mol. Its IUPAC name is 5-[2-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[2-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
PubChem CID144909699
Molecular FormulaC23H16F6N2O4
Molecular Weight498.38 g/mol
Exact Mass498.10
IUPAC Name5-[2-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
SMILESCC(C)N1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(C)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O
InChIInChI=1S/C23H16F6N2O4/c1-10(2)31-19(34)14-7-5-12(9-16(14)20(31)35)21(22(24,25)26,23(27,28)29)11-4-6-13-15(8-11)18(33)30(3)17(13)32/h4-10H,1-3H3
InChIKeyCIPACBJZOMNNHF-UHFFFAOYSA-N
XLogP4.33
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.38
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[2-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione with MolForge

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Related Compounds

(2S,3S)-2-[5-[2-[2-[(1S,2S)-1-carboxy-2-methylbutyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3-methylpentanoic acid
CID 102177403
2-(4-fluorophenyl)-5-[1,1,1,3,3,3-hexafluoro-2-[2-(4-fluorophenyl)-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione
CID 2832096
5-[2-[2-[3-chloro-4-(2-chloro-4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
CID 20704286
ethane;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione
CID 143852340
5-[2-[2-[2-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]propan-2-yl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
CID 167135654
7-methyl-22-propan-2-yl-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(31),2,4,9,11,13,15,17(34),18(27),19(24),20(33),25,28(32),29,35-pentadecaene-6,8,21,23-tetrone
CID 130206684
CID 19914851
CID 19914851
5-[[4-[2-[4-[(1,3-dioxo-2-propan-2-ylisoindol-5-yl)methyl]phenyl]propan-2-yl]phenyl]methyl]-2-propan-2-ylisoindole-1,3-dione
CID 90193913
5-[2-[2-(3-acetyl-5-methylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]isoindole-1,3-dione
CID 59992712
2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione
CID 973288
5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione
CID 169025546
2-[5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-(2-methylpropanoyloxy)ethyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]ethyl (E)-2-methylbut-2-enoate
CID 134515029

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione?
The IUPAC name of 5-[2-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione (CID 144909699) is 5-[2-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-[2-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-[2-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione is CC(C)N1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(C)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O.
What is the InChIKey of 5-[2-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione?
The InChIKey is CIPACBJZOMNNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F6N2O4/c1-10(2)31-19(34)14-7-5-12(9-16(14)20(31)35)21(22(24,25)26,23(27,28)29)11-4-6-13-15(8-11)18(33)30(3)17(13)32/h4-10H,1-3H3.
What are the key properties of 5-[2-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione?
5-[2-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione has a molecular weight of 498.38 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 144909699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).