2-(2,3,5,6-tetrafluorophenyl)isoindole-1,3-dione

C14H5F4NO2 — CID 168516039

IUPAC2-(2,3,5,6-tetrafluorophenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C14H5F4NO2/c15-8-5-9(16)11(18)12(10(8)17)19-13(20)6-3-1-2-4-7(6)14(19)21/h1-5H
InChIKeyMXFCHLXTIGTMBX-UHFFFAOYSA-N
MW295.19 g/mol
LogP3.04
Rot. Bonds1

About 2-(2,3,5,6-tetrafluorophenyl)isoindole-1,3-dione

2-(2,3,5,6-tetrafluorophenyl)isoindole-1,3-dione (PubChem CID 168516039) has the molecular formula C14H5F4NO2 and a molecular weight of 295.19 g/mol. Its IUPAC name is 2-(2,3,5,6-tetrafluorophenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,3,5,6-tetrafluorophenyl)isoindole-1,3-dione
PubChem CID168516039
Molecular FormulaC14H5F4NO2
Molecular Weight295.19 g/mol
Exact Mass295.03
IUPAC Name2-(2,3,5,6-tetrafluorophenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C14H5F4NO2/c15-8-5-9(16)11(18)12(10(8)17)19-13(20)6-3-1-2-4-7(6)14(19)21/h1-5H
InChIKeyMXFCHLXTIGTMBX-UHFFFAOYSA-N
XLogP3.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(2,3,5,6-tetrafluorophenyl)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

Related Compounds

2-(4-amino-2,6-difluorophenyl)isoindole-1,3-dione
CID 58758353
2-[(2,3,5,6-tetrafluorophenyl)methyl]isoindole-1,3-dione
CID 126720986
2-(3-ethoxy-2,6-difluorophenyl)isoindole-1,3-dione
CID 168517399
2-[3,5-difluoro-4-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 168516425
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
4,5,6-trifluoro-2-phenylisoindole-1,3-dione
CID 54452538
2-(3-fluoro-2-iodophenyl)isoindole-1,3-dione
CID 114259645
2-(2-bromo-4-fluoro-6-methoxyphenyl)isoindole-1,3-dione
CID 168519363
3-(1,3-dioxoisoindol-2-yl)-4-fluorobenzoic acid
CID 60828530
2-[5-(3,4-difluorophenyl)-2-methylphenyl]isoindole-1,3-dione
CID 167346877
2-(2-fluoro-4-methylphenyl)isoquinoline-1,3,4-trione
CID 101438443
2-[3-(1,3-dioxoisoindol-2-yl)-1,4-dioxonaphthalen-2-yl]isoindole-1,3-dione
CID 13330620

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5,6-tetrafluorophenyl)isoindole-1,3-dione?
The IUPAC name of 2-(2,3,5,6-tetrafluorophenyl)isoindole-1,3-dione (CID 168516039) is 2-(2,3,5,6-tetrafluorophenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,3,5,6-tetrafluorophenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2,3,5,6-tetrafluorophenyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2-(2,3,5,6-tetrafluorophenyl)isoindole-1,3-dione?
The InChIKey is MXFCHLXTIGTMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5F4NO2/c15-8-5-9(16)11(18)12(10(8)17)19-13(20)6-3-1-2-4-7(6)14(19)21/h1-5H.
What are the key properties of 2-(2,3,5,6-tetrafluorophenyl)isoindole-1,3-dione?
2-(2,3,5,6-tetrafluorophenyl)isoindole-1,3-dione has a molecular weight of 295.19 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5,6-tetrafluorophenyl)isoindole-1,3-dione is sourced from PubChem (CID 168516039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).