(2-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate

C16H10FNO4 — CID 8764408

IUPAC(2-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Oc1ccccc1F
InChIInChI=1S/C16H10FNO4/c17-12-7-3-4-8-13(12)22-14(19)9-18-15(20)10-5-1-2-6-11(10)16(18)21/h1-8H,9H2
InChIKeyVGEXYCKQKUJQGH-UHFFFAOYSA-N
MW299.26 g/mol
LogP2.03
Rot. Bonds3

About (2-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate

(2-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate (PubChem CID 8764408) has the molecular formula C16H10FNO4 and a molecular weight of 299.26 g/mol. Its IUPAC name is (2-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name(2-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
PubChem CID8764408
Molecular FormulaC16H10FNO4
Molecular Weight299.26 g/mol
Exact Mass299.06
IUPAC Name(2-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Oc1ccccc1F
InChIInChI=1S/C16H10FNO4/c17-12-7-3-4-8-13(12)22-14(19)9-18-15(20)10-5-1-2-6-11(10)16(18)21/h1-8H,9H2
InChIKeyVGEXYCKQKUJQGH-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxynaphthalen-1-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 5194640
(4-methylphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7901050
[(1R)-1-(4-fluorophenyl)ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7763359
(2,6-dimethylphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 679781
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7951318
2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 934440
bis(2-fluorophenyl) hexanedioate
CID 91704928
(2-chloro-6-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 954150
triethylstannyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 16684771
(2-tert-butyl-4-methylphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 1180206
(2,4,6-trimethylphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 8915391
ethyl 4-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxy-1,2-dimethylindole-3-carboxylate
CID 1251193

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate?
The IUPAC name of (2-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate (CID 8764408) is (2-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate.
What is the SMILES notation for (2-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate?
The canonical SMILES for (2-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate is O=C(CN1C(=O)c2ccccc2C1=O)Oc1ccccc1F.
What is the InChIKey of (2-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate?
The InChIKey is VGEXYCKQKUJQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO4/c17-12-7-3-4-8-13(12)22-14(19)9-18-15(20)10-5-1-2-6-11(10)16(18)21/h1-8H,9H2.
What are the key properties of (2-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate?
(2-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate has a molecular weight of 299.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate is sourced from PubChem (CID 8764408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).