2-(4-amino-2,6-difluorophenyl)isoindole-1,3-dione

C14H8F2N2O2 — CID 58758353

IUPAC2-(4-amino-2,6-difluorophenyl)isoindole-1,3-dione
SMILESNc1cc(F)c(N2C(=O)c3ccccc3C2=O)c(F)c1
InChIInChI=1S/C14H8F2N2O2/c15-10-5-7(17)6-11(16)12(10)18-13(19)8-3-1-2-4-9(8)14(18)20/h1-6H,17H2
InChIKeyRVFWJJCMLRDNHW-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.35
Rot. Bonds1

About 2-(4-amino-2,6-difluorophenyl)isoindole-1,3-dione

2-(4-amino-2,6-difluorophenyl)isoindole-1,3-dione (PubChem CID 58758353) has the molecular formula C14H8F2N2O2 and a molecular weight of 274.23 g/mol. Its IUPAC name is 2-(4-amino-2,6-difluorophenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-amino-2,6-difluorophenyl)isoindole-1,3-dione
PubChem CID58758353
Molecular FormulaC14H8F2N2O2
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name2-(4-amino-2,6-difluorophenyl)isoindole-1,3-dione
SMILESNc1cc(F)c(N2C(=O)c3ccccc3C2=O)c(F)c1
InChIInChI=1S/C14H8F2N2O2/c15-10-5-7(17)6-11(16)12(10)18-13(19)8-3-1-2-4-9(8)14(18)20/h1-6H,17H2
InChIKeyRVFWJJCMLRDNHW-UHFFFAOYSA-N
XLogP2.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(2,3,5,6-tetrafluorophenyl)isoindole-1,3-dione
CID 168516039
5-amino-2-(2-fluorophenyl)isoindole-1,3-dione
CID 28773180
4-amino-2-(2-chloro-4,6-difluorophenyl)isoindole-1,3-dione
CID 83073246
3,5-dichloro-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 168519790
5-amino-2-(2,6-dibromophenyl)isoindole-1,3-dione
CID 107600970
5-amino-2-(4-amino-2,6-dichlorophenyl)isoindole-1,3-dione
CID 139787354
2-(4,6-diamino-1,3,5-triazin-2-yl)isoindole-1,3-dione
CID 4149884
2-(2-bromo-4-fluoro-6-methoxyphenyl)isoindole-1,3-dione
CID 168519363
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
7,18-bis(2,4,6-trifluorophenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 58660869
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,6-difluorophenyl)isoindole-1,3-dione?
The IUPAC name of 2-(4-amino-2,6-difluorophenyl)isoindole-1,3-dione (CID 58758353) is 2-(4-amino-2,6-difluorophenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(4-amino-2,6-difluorophenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(4-amino-2,6-difluorophenyl)isoindole-1,3-dione is Nc1cc(F)c(N2C(=O)c3ccccc3C2=O)c(F)c1.
What is the InChIKey of 2-(4-amino-2,6-difluorophenyl)isoindole-1,3-dione?
The InChIKey is RVFWJJCMLRDNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2O2/c15-10-5-7(17)6-11(16)12(10)18-13(19)8-3-1-2-4-9(8)14(18)20/h1-6H,17H2.
What are the key properties of 2-(4-amino-2,6-difluorophenyl)isoindole-1,3-dione?
2-(4-amino-2,6-difluorophenyl)isoindole-1,3-dione has a molecular weight of 274.23 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,6-difluorophenyl)isoindole-1,3-dione is sourced from PubChem (CID 58758353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).