4,5,6,7-tetrafluoro-2-(2-hydroxyphenyl)isoindole-1,3-dione

C14H5F4NO3 — CID 139073309

IUPAC4,5,6,7-tetrafluoro-2-(2-hydroxyphenyl)isoindole-1,3-dione
SMILESO=C1c2c(F)c(F)c(F)c(F)c2C(=O)N1c1ccccc1O
InChIInChI=1S/C14H5F4NO3/c15-9-7-8(10(16)12(18)11(9)17)14(22)19(13(7)21)5-3-1-2-4-6(5)20/h1-4,20H
InChIKeyGHNYPJSGSRLYPM-UHFFFAOYSA-N
MW311.19 g/mol
LogP2.75
Rot. Bonds1

About 4,5,6,7-tetrafluoro-2-(2-hydroxyphenyl)isoindole-1,3-dione

4,5,6,7-tetrafluoro-2-(2-hydroxyphenyl)isoindole-1,3-dione (PubChem CID 139073309) has the molecular formula C14H5F4NO3 and a molecular weight of 311.19 g/mol. Its IUPAC name is 4,5,6,7-tetrafluoro-2-(2-hydroxyphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4,5,6,7-tetrafluoro-2-(2-hydroxyphenyl)isoindole-1,3-dione
PubChem CID139073309
Molecular FormulaC14H5F4NO3
Molecular Weight311.19 g/mol
Exact Mass311.02
IUPAC Name4,5,6,7-tetrafluoro-2-(2-hydroxyphenyl)isoindole-1,3-dione
SMILESO=C1c2c(F)c(F)c(F)c(F)c2C(=O)N1c1ccccc1O
InChIInChI=1S/C14H5F4NO3/c15-9-7-8(10(16)12(18)11(9)17)14(22)19(13(7)21)5-3-1-2-4-6(5)20/h1-4,20H
InChIKeyGHNYPJSGSRLYPM-UHFFFAOYSA-N
XLogP2.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1,2-Benzisoselenazol-3(2H)-one, 2-(2-hydroxyphenyl)-
CID 3067580
Phthalimide, N-(m-hydroxyphenyl)-
CID 187955
2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione
CID 25134257
2,6-Bis(2-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 628572
N-(4-Hydroxyphenyl)Phthalimide
CID 252281
N-(o-hydroxyphenyl)phthalimide
CID 237482
3-(1,3-dioxoisoindolin-2-yl)-N-(2-hydroxyphenyl)benzamide
CID 17385733
2-(2-Fluoro-4-hydroxyphenyl)-5-hydroxyisoindoline-1,3-dione
CID 44430376
N-(2-hydroxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide
CID 1117015
4-Fluoro-N-(2-hydroxyphenyl)benzamide
CID 579383
5,6-Dichloro-2-(2-hydroxyphenyl)isoindole-1,3-dione
CID 747067
Benzamide, 2,4-difluoro-N-(2-hydroxyphenyl)-
CID 3066245

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrafluoro-2-(2-hydroxyphenyl)isoindole-1,3-dione?
The IUPAC name of 4,5,6,7-tetrafluoro-2-(2-hydroxyphenyl)isoindole-1,3-dione (CID 139073309) is 4,5,6,7-tetrafluoro-2-(2-hydroxyphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4,5,6,7-tetrafluoro-2-(2-hydroxyphenyl)isoindole-1,3-dione?
The canonical SMILES for 4,5,6,7-tetrafluoro-2-(2-hydroxyphenyl)isoindole-1,3-dione is O=C1c2c(F)c(F)c(F)c(F)c2C(=O)N1c1ccccc1O.
What is the InChIKey of 4,5,6,7-tetrafluoro-2-(2-hydroxyphenyl)isoindole-1,3-dione?
The InChIKey is GHNYPJSGSRLYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5F4NO3/c15-9-7-8(10(16)12(18)11(9)17)14(22)19(13(7)21)5-3-1-2-4-6(5)20/h1-4,20H.
What are the key properties of 4,5,6,7-tetrafluoro-2-(2-hydroxyphenyl)isoindole-1,3-dione?
4,5,6,7-tetrafluoro-2-(2-hydroxyphenyl)isoindole-1,3-dione has a molecular weight of 311.19 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrafluoro-2-(2-hydroxyphenyl)isoindole-1,3-dione is sourced from PubChem (CID 139073309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).