(1,3-dioxoisoindol-2-yl) 3,5-difluorobenzoate

C15H7F2NO4 — CID 154719363

IUPAC(1,3-dioxoisoindol-2-yl) 3,5-difluorobenzoate
SMILESO=C(ON1C(=O)c2ccccc2C1=O)c1cc(F)cc(F)c1
InChIInChI=1S/C15H7F2NO4/c16-9-5-8(6-10(17)7-9)15(21)22-18-13(19)11-3-1-2-4-12(11)14(18)20/h1-7H
InChIKeyDLPSCQRAZRLXBL-UHFFFAOYSA-N
MW303.22 g/mol
LogP2.33
Rot. Bonds2

About (1,3-dioxoisoindol-2-yl) 3,5-difluorobenzoate

(1,3-dioxoisoindol-2-yl) 3,5-difluorobenzoate (PubChem CID 154719363) has the molecular formula C15H7F2NO4 and a molecular weight of 303.22 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl) 3,5-difluorobenzoate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl) 3,5-difluorobenzoate
PubChem CID154719363
Molecular FormulaC15H7F2NO4
Molecular Weight303.22 g/mol
Exact Mass303.03
IUPAC Name(1,3-dioxoisoindol-2-yl) 3,5-difluorobenzoate
SMILESO=C(ON1C(=O)c2ccccc2C1=O)c1cc(F)cc(F)c1
InChIInChI=1S/C15H7F2NO4/c16-9-5-8(6-10(17)7-9)15(21)22-18-13(19)11-3-1-2-4-12(11)14(18)20/h1-7H
InChIKeyDLPSCQRAZRLXBL-UHFFFAOYSA-N
XLogP2.33
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.22
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)ethyl 3,5-difluorobenzoate
CID 4545184
(1,3-dioxoisoindol-2-yl) 3-(trifluoromethyl)benzoate
CID 91726288
(1,3-dioxoisoindol-2-yl) 4-formylbenzoate
CID 155905846
bis(1,3-dioxoisoindol-2-yl) oxalate
CID 13423760
bis(1,3-dioxoisoindol-2-yl) carbonate
CID 12876455
(1,3-dioxoisoindol-2-yl) 6-methoxynaphthalene-2-carboxylate
CID 122221274
(1,3-dioxoisoindol-2-yl) 2-bromobenzoate
CID 132508616
3-(1,3-dioxoisoindol-2-yl)-5-fluorobenzamide
CID 168517087
O-(1,3-dioxoisoindol-2-yl) benzenecarbothioate
CID 175000687
2-(1-phenylethenoxy)isoindole-1,3-dione
CID 13332656
(2,5-dioxopyrrolidin-1-yl) 3-chloro-5-fluorobenzoate
CID 155923584
(1,3-dioxoisoindol-2-yl) 3-(4-fluorophenyl)-2-methylbutanoate
CID 165437915

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl) 3,5-difluorobenzoate?
The IUPAC name of (1,3-dioxoisoindol-2-yl) 3,5-difluorobenzoate (CID 154719363) is (1,3-dioxoisoindol-2-yl) 3,5-difluorobenzoate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl) 3,5-difluorobenzoate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl) 3,5-difluorobenzoate is O=C(ON1C(=O)c2ccccc2C1=O)c1cc(F)cc(F)c1.
What is the InChIKey of (1,3-dioxoisoindol-2-yl) 3,5-difluorobenzoate?
The InChIKey is DLPSCQRAZRLXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F2NO4/c16-9-5-8(6-10(17)7-9)15(21)22-18-13(19)11-3-1-2-4-12(11)14(18)20/h1-7H.
What are the key properties of (1,3-dioxoisoindol-2-yl) 3,5-difluorobenzoate?
(1,3-dioxoisoindol-2-yl) 3,5-difluorobenzoate has a molecular weight of 303.22 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl) 3,5-difluorobenzoate is sourced from PubChem (CID 154719363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).