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

C15H7F4NO2 — CID 168516014

IUPAC2-[2-fluoro-3-(trifluoromethyl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C15H7F4NO2/c16-12-10(15(17,18)19)6-3-7-11(12)20-13(21)8-4-1-2-5-9(8)14(20)22/h1-7H
InChIKeyOJSZIGWZRLESPV-UHFFFAOYSA-N
MW309.22 g/mol
LogP3.65
Rot. Bonds1

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

2-[2-fluoro-3-(trifluoromethyl)phenyl]isoindole-1,3-dione (PubChem CID 168516014) has the molecular formula C15H7F4NO2 and a molecular weight of 309.22 g/mol. Its IUPAC name is 2-[2-fluoro-3-(trifluoromethyl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-fluoro-3-(trifluoromethyl)phenyl]isoindole-1,3-dione
PubChem CID168516014
Molecular FormulaC15H7F4NO2
Molecular Weight309.22 g/mol
Exact Mass309.04
IUPAC Name2-[2-fluoro-3-(trifluoromethyl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C15H7F4NO2/c16-12-10(15(17,18)19)6-3-7-11(12)20-13(21)8-4-1-2-5-9(8)14(20)22/h1-7H
InChIKeyOJSZIGWZRLESPV-UHFFFAOYSA-N
XLogP3.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 53.65
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-fluoro-2-iodophenyl)isoindole-1,3-dione
CID 114259645
(4Z)-4-[[4-[[(Z)-[1,3-dioxo-2-[2-(trifluoromethyl)phenyl]isoquinolin-4-ylidene]methyl]amino]anilino]methylidene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione
CID 129392631
2-[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione
CID 1109044
2-[3-(difluoromethoxy)-2-fluorophenyl]isoindole-1,3-dione
CID 168519425
2-[2-bromo-3,5-bis(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 168516167
2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 168519994
2-[4-phenoxy-2-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 168516982
2-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 168518200
2-[2-(trifluoromethoxysulfanyl)phenyl]isoindole-1,3-dione
CID 1218179
2-(4-fluoro-1H-indazol-5-yl)isoindole-1,3-dione
CID 168518045
2-(2-phenylphenyl)-4-[1-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione
CID 134233924
2-[2-(difluoromethyl)phenyl]isoindole-1,3-dione
CID 168518946

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-3-(trifluoromethyl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-fluoro-3-(trifluoromethyl)phenyl]isoindole-1,3-dione (CID 168516014) is 2-[2-fluoro-3-(trifluoromethyl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-fluoro-3-(trifluoromethyl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-fluoro-3-(trifluoromethyl)phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 2-[2-fluoro-3-(trifluoromethyl)phenyl]isoindole-1,3-dione?
The InChIKey is OJSZIGWZRLESPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F4NO2/c16-12-10(15(17,18)19)6-3-7-11(12)20-13(21)8-4-1-2-5-9(8)14(20)22/h1-7H.
What are the key properties of 2-[2-fluoro-3-(trifluoromethyl)phenyl]isoindole-1,3-dione?
2-[2-fluoro-3-(trifluoromethyl)phenyl]isoindole-1,3-dione has a molecular weight of 309.22 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-3-(trifluoromethyl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 168516014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).