(1,3-dioxoisoindol-2-yl)methyl 2-fluorobenzoate

C16H10FNO4 — CID 806252

IUPAC(1,3-dioxoisoindol-2-yl)methyl 2-fluorobenzoate
SMILESO=C(OCN1C(=O)c2ccccc2C1=O)c1ccccc1F
InChIInChI=1S/C16H10FNO4/c17-13-8-4-3-7-12(13)16(21)22-9-18-14(19)10-5-1-2-6-11(10)15(18)20/h1-8H,9H2
InChIKeySAPALVTZEYPVGD-UHFFFAOYSA-N
MW299.26 g/mol
LogP2.24
Rot. Bonds3

About (1,3-dioxoisoindol-2-yl)methyl 2-fluorobenzoate

(1,3-dioxoisoindol-2-yl)methyl 2-fluorobenzoate (PubChem CID 806252) has the molecular formula C16H10FNO4 and a molecular weight of 299.26 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl)methyl 2-fluorobenzoate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl)methyl 2-fluorobenzoate
PubChem CID806252
Molecular FormulaC16H10FNO4
Molecular Weight299.26 g/mol
Exact Mass299.06
IUPAC Name(1,3-dioxoisoindol-2-yl)methyl 2-fluorobenzoate
SMILESO=C(OCN1C(=O)c2ccccc2C1=O)c1ccccc1F
InChIInChI=1S/C16H10FNO4/c17-13-8-4-3-7-12(13)16(21)22-9-18-14(19)10-5-1-2-6-11(10)15(18)20/h1-8H,9H2
InChIKeySAPALVTZEYPVGD-UHFFFAOYSA-N
XLogP2.24
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 2-fluorobenzoate?
The IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 2-fluorobenzoate (CID 806252) is (1,3-dioxoisoindol-2-yl)methyl 2-fluorobenzoate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl)methyl 2-fluorobenzoate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl)methyl 2-fluorobenzoate is O=C(OCN1C(=O)c2ccccc2C1=O)c1ccccc1F.
What is the InChIKey of (1,3-dioxoisoindol-2-yl)methyl 2-fluorobenzoate?
The InChIKey is SAPALVTZEYPVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO4/c17-13-8-4-3-7-12(13)16(21)22-9-18-14(19)10-5-1-2-6-11(10)15(18)20/h1-8H,9H2.
What are the key properties of (1,3-dioxoisoindol-2-yl)methyl 2-fluorobenzoate?
(1,3-dioxoisoindol-2-yl)methyl 2-fluorobenzoate has a molecular weight of 299.26 g/mol, XLogP of 2.24, 3 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)methyl 2-fluorobenzoate is sourced from PubChem (CID 806252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).