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

C15H7F4NO2 — CID 126720986

IUPAC2-[(2,3,5,6-tetrafluorophenyl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C15H7F4NO2/c16-10-5-11(17)13(19)9(12(10)18)6-20-14(21)7-3-1-2-4-8(7)15(20)22/h1-5H,6H2
InChIKeyJIKCIXOBIVDISV-UHFFFAOYSA-N
MW309.22 g/mol
LogP3.04
Rot. Bonds2

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

2-[(2,3,5,6-tetrafluorophenyl)methyl]isoindole-1,3-dione (PubChem CID 126720986) has the molecular formula C15H7F4NO2 and a molecular weight of 309.22 g/mol. Its IUPAC name is 2-[(2,3,5,6-tetrafluorophenyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2,3,5,6-tetrafluorophenyl)methyl]isoindole-1,3-dione
PubChem CID126720986
Molecular FormulaC15H7F4NO2
Molecular Weight309.22 g/mol
Exact Mass309.04
IUPAC Name2-[(2,3,5,6-tetrafluorophenyl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C15H7F4NO2/c16-10-5-11(17)13(19)9(12(10)18)6-20-14(21)7-3-1-2-4-8(7)15(20)22/h1-5H,6H2
InChIKeyJIKCIXOBIVDISV-UHFFFAOYSA-N
XLogP3.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
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'}

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Related Compounds

2-[[2-[(1R)-1-aminoethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione
CID 134586614
2-(2,3,5,6-tetrafluorophenyl)isoindole-1,3-dione
CID 168516039
2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2774444
2-[(4-bromo-2-fluorophenyl)methyl]isoindole-1,3-dione
CID 2773365
2-[2-(2-fluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 42946404
2-[(3-amino-2-fluorophenyl)methyl]isoindole-1,3-dione
CID 107347604
2-[[2-[(1R)-1-(azetidin-1-yl)ethyl]-6-fluorophenyl]methyl]isoindole-1,3-dione
CID 134585961
2-[(3,4,5-trihydroxyphenyl)methyl]isoindole-1,3-dione
CID 91971420
2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 110885169
2-[(2-chloro-4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2773635
2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione
CID 5094148
4-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide
CID 22481659

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3,5,6-tetrafluorophenyl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2,3,5,6-tetrafluorophenyl)methyl]isoindole-1,3-dione (CID 126720986) is 2-[(2,3,5,6-tetrafluorophenyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2,3,5,6-tetrafluorophenyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2,3,5,6-tetrafluorophenyl)methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2-[(2,3,5,6-tetrafluorophenyl)methyl]isoindole-1,3-dione?
The InChIKey is JIKCIXOBIVDISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F4NO2/c16-10-5-11(17)13(19)9(12(10)18)6-20-14(21)7-3-1-2-4-8(7)15(20)22/h1-5H,6H2.
What are the key properties of 2-[(2,3,5,6-tetrafluorophenyl)methyl]isoindole-1,3-dione?
2-[(2,3,5,6-tetrafluorophenyl)methyl]isoindole-1,3-dione has a molecular weight of 309.22 g/mol, XLogP of 3.04, 2 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)methyl]isoindole-1,3-dione is sourced from PubChem (CID 126720986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).