2-[3,3,3-trifluoro-2-phenyl-2-(trifluoromethyl)propyl]isoindole-1,3-dione

C18H11F6NO2 — CID 87759453

IUPAC2-[3,3,3-trifluoro-2-phenyl-2-(trifluoromethyl)propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(c1ccccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H11F6NO2/c19-17(20,21)16(18(22,23)24,11-6-2-1-3-7-11)10-25-14(26)12-8-4-5-9-13(12)15(25)27/h1-9H,10H2
InChIKeyCGDDYPZNCJERSX-UHFFFAOYSA-N
MW387.28 g/mol
LogP4.35
Rot. Bonds3

About 2-[3,3,3-trifluoro-2-phenyl-2-(trifluoromethyl)propyl]isoindole-1,3-dione

2-[3,3,3-trifluoro-2-phenyl-2-(trifluoromethyl)propyl]isoindole-1,3-dione (PubChem CID 87759453) has the molecular formula C18H11F6NO2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 2-[3,3,3-trifluoro-2-phenyl-2-(trifluoromethyl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3,3,3-trifluoro-2-phenyl-2-(trifluoromethyl)propyl]isoindole-1,3-dione
PubChem CID87759453
Molecular FormulaC18H11F6NO2
Molecular Weight387.28 g/mol
Exact Mass387.07
IUPAC Name2-[3,3,3-trifluoro-2-phenyl-2-(trifluoromethyl)propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(c1ccccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H11F6NO2/c19-17(20,21)16(18(22,23)24,11-6-2-1-3-7-11)10-25-14(26)12-8-4-5-9-13(12)15(25)27/h1-9H,10H2
InChIKeyCGDDYPZNCJERSX-UHFFFAOYSA-N
XLogP4.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.35
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

2-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)isoindole-1,3-dione
CID 67383644
ethane;2,2,2-trifluoroethanamine;2-(2,2,2-trifluoroethyl)isoindole-1,3-dione
CID 164901575
2-(2-hydroxy-2-methylpropyl)isoindole-1,3-dione
CID 15205735
(2R)-4-(1,3-dioxoisoindol-2-yl)-2-hydroxy-3,3-dimethylbutanoic acid
CID 834726
2-(4,4,4-trifluoro-2-hydroxy-2-methylbutyl)isoindole-1,3-dione
CID 164683727
[1,1-dideuterio-3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl] trifluoromethanesulfonate
CID 175863865
2-(2-diethoxyphosphoryl-2,2-difluoroethyl)isoindole-1,3-dione
CID 86606190
2-(3-benzyl-4,4,4-trifluorobut-2-enyl)isoindole-1,3-dione
CID 66973657
[3-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,4-trimethyl-4-phenylpentan-3-yl]carbamic acid
CID 69020716
2-(3-amino-2,2-difluoropropyl)-3-methylideneisoindol-1-one
CID 114384578
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(1-hydroxy-2-phenylpropan-2-yl)isoindole-1,3-dione
CID 105059304

Frequently Asked Questions

What is the IUPAC name of 2-[3,3,3-trifluoro-2-phenyl-2-(trifluoromethyl)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3,3,3-trifluoro-2-phenyl-2-(trifluoromethyl)propyl]isoindole-1,3-dione (CID 87759453) is 2-[3,3,3-trifluoro-2-phenyl-2-(trifluoromethyl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3,3,3-trifluoro-2-phenyl-2-(trifluoromethyl)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3,3,3-trifluoro-2-phenyl-2-(trifluoromethyl)propyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CC(c1ccccc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[3,3,3-trifluoro-2-phenyl-2-(trifluoromethyl)propyl]isoindole-1,3-dione?
The InChIKey is CGDDYPZNCJERSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F6NO2/c19-17(20,21)16(18(22,23)24,11-6-2-1-3-7-11)10-25-14(26)12-8-4-5-9-13(12)15(25)27/h1-9H,10H2.
What are the key properties of 2-[3,3,3-trifluoro-2-phenyl-2-(trifluoromethyl)propyl]isoindole-1,3-dione?
2-[3,3,3-trifluoro-2-phenyl-2-(trifluoromethyl)propyl]isoindole-1,3-dione has a molecular weight of 387.28 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3,3-trifluoro-2-phenyl-2-(trifluoromethyl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 87759453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).