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

C16H10F3NO2 — CID 627704

IUPAC2-[[3-(trifluoromethyl)phenyl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H10F3NO2/c17-16(18,19)11-5-3-4-10(8-11)9-20-14(21)12-6-1-2-7-13(12)15(20)22/h1-8H,9H2
InChIKeyHQMUGFLFDBNFBE-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.50
Rot. Bonds2

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

2-[[3-(trifluoromethyl)phenyl]methyl]isoindole-1,3-dione (PubChem CID 627704) has the molecular formula C16H10F3NO2 and a molecular weight of 305.26 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)phenyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)phenyl]methyl]isoindole-1,3-dione
PubChem CID627704
Molecular FormulaC16H10F3NO2
Molecular Weight305.26 g/mol
Exact Mass305.07
IUPAC Name2-[[3-(trifluoromethyl)phenyl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H10F3NO2/c17-16(18,19)11-5-3-4-10(8-11)9-20-14(21)12-6-1-2-7-13(12)15(20)22/h1-8H,9H2
InChIKeyHQMUGFLFDBNFBE-UHFFFAOYSA-N
XLogP3.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[3-(trifluoromethyl)phenyl]methyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methyl]isoindole-1,3-dione (CID 627704) is 2-[[3-(trifluoromethyl)phenyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[3-(trifluoromethyl)phenyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[3-(trifluoromethyl)phenyl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[3-(trifluoromethyl)phenyl]methyl]isoindole-1,3-dione?
The InChIKey is HQMUGFLFDBNFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO2/c17-16(18,19)11-5-3-4-10(8-11)9-20-14(21)12-6-1-2-7-13(12)15(20)22/h1-8H,9H2.
What are the key properties of 2-[[3-(trifluoromethyl)phenyl]methyl]isoindole-1,3-dione?
2-[[3-(trifluoromethyl)phenyl]methyl]isoindole-1,3-dione has a molecular weight of 305.26 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)phenyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 627704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).