2-[4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]phenyl]isoindole-1,3-dione

C20H14F3NO2 — CID 167313152

IUPAC2-[4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(C23CC(C(F)(F)F)(C2)C3)cc1
InChIInChI=1S/C20H14F3NO2/c21-20(22,23)19-9-18(10-19,11-19)12-5-7-13(8-6-12)24-16(25)14-3-1-2-4-15(14)17(24)26/h1-8H,9-11H2
InChIKeyRNGPKCWNNPLVTC-UHFFFAOYSA-N
MW357.33 g/mol
LogP4.47
Rot. Bonds2

About 2-[4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]phenyl]isoindole-1,3-dione

2-[4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]phenyl]isoindole-1,3-dione (PubChem CID 167313152) has the molecular formula C20H14F3NO2 and a molecular weight of 357.33 g/mol. Its IUPAC name is 2-[4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]phenyl]isoindole-1,3-dione
PubChem CID167313152
Molecular FormulaC20H14F3NO2
Molecular Weight357.33 g/mol
Exact Mass357.10
IUPAC Name2-[4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(C23CC(C(F)(F)F)(C2)C3)cc1
InChIInChI=1S/C20H14F3NO2/c21-20(22,23)19-9-18(10-19,11-19)12-5-7-13(8-6-12)24-16(25)14-3-1-2-4-15(14)17(24)26/h1-8H,9-11H2
InChIKeyRNGPKCWNNPLVTC-UHFFFAOYSA-N
XLogP4.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 54.47
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
2,6-Dimethylphenylphthalimide
CID 73324
Cps 49
CID 9905583
2-[4-(dimethylamino)phenyl]-1H-isoindole-1,3(2H)-dione
CID 748674
1,2-Benzisoselenazol-3(2H)-one, 2-(4-(trifluoromethyl)phenyl)-
CID 3067590
4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile
CID 25113145
2-[4-(Dimethylamino)phenyl]-5-fluoroisoindole-1,3-dione
CID 25271200
2-(4-Methylphenyl)isoindolin-1-one
CID 2836108
1H-Isoindole-1,3(2H)-dione, 2-(4-methylphenyl)-
CID 616999
2-(4-Acetyl-phenyl)-isoindole-1,3-dione
CID 689981
2-(2-(2-phenylethyl)phenyl)-2,3-dihydro-1H-isoindole-1,3-dione
CID 10616182

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]phenyl]isoindole-1,3-dione (CID 167313152) is 2-[4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccc(C23CC(C(F)(F)F)(C2)C3)cc1.
What is the InChIKey of 2-[4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]phenyl]isoindole-1,3-dione?
The InChIKey is RNGPKCWNNPLVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3NO2/c21-20(22,23)19-9-18(10-19,11-19)12-5-7-13(8-6-12)24-16(25)14-3-1-2-4-15(14)17(24)26/h1-8H,9-11H2.
What are the key properties of 2-[4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]phenyl]isoindole-1,3-dione?
2-[4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]phenyl]isoindole-1,3-dione has a molecular weight of 357.33 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 167313152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).