2-[(2-fluorophenyl)methyl]isoindole-1,3-dione

C15H10FNO2 — CID 7688293

IUPAC2-[(2-fluorophenyl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccccc1F
InChIInChI=1S/C15H10FNO2/c16-13-8-4-1-5-10(13)9-17-14(18)11-6-2-3-7-12(11)15(17)19/h1-8H,9H2
InChIKeyZKHXRXJMCPSISR-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.62
Rot. Bonds2

About 2-[(2-fluorophenyl)methyl]isoindole-1,3-dione

2-[(2-fluorophenyl)methyl]isoindole-1,3-dione (PubChem CID 7688293) has the molecular formula C15H10FNO2 and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]isoindole-1,3-dione
PubChem CID7688293
Molecular FormulaC15H10FNO2
Molecular Weight255.25 g/mol
Exact Mass255.07
IUPAC Name2-[(2-fluorophenyl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccccc1F
InChIInChI=1S/C15H10FNO2/c16-13-8-4-1-5-10(13)9-17-14(18)11-6-2-3-7-12(11)15(17)19/h1-8H,9H2
InChIKeyZKHXRXJMCPSISR-UHFFFAOYSA-N
XLogP2.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phosmet
CID 12901
2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione
CID 28777
Phthalimide
CID 6809
N-Methylphthalimide
CID 11074
N-Hydroxyphthalimide
CID 10665
Phthalimidine
CID 10199
N-(2,3-Epoxypropyl)phthalimide
CID 21601
Isopropylphthalimide
CID 67535
N-(hydroxymethyl)phthalimide
CID 8354
N-Butylphthalimide
CID 73812
Chloromethylphthalimide
CID 87154
2-((1-(2-(4-Fluorophenyl)-2-oxoethyl)-4-piperidinyl)methyl)-2,3-dihydro-1H-isoindol-1-one
CID 9799284

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2-fluorophenyl)methyl]isoindole-1,3-dione (CID 7688293) is 2-[(2-fluorophenyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]isoindole-1,3-dione?
The InChIKey is ZKHXRXJMCPSISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2/c16-13-8-4-1-5-10(13)9-17-14(18)11-6-2-3-7-12(11)15(17)19/h1-8H,9H2.
What are the key properties of 2-[(2-fluorophenyl)methyl]isoindole-1,3-dione?
2-[(2-fluorophenyl)methyl]isoindole-1,3-dione has a molecular weight of 255.25 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 7688293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).