2-[[(3,4-difluorophenyl)methyl-dimethylsilyl]methyl]isoindole-1,3-dione

C18H17F2NO2Si — CID 15225547

IUPAC2-[[(3,4-difluorophenyl)methyl-dimethylsilyl]methyl]isoindole-1,3-dione
SMILESC[Si](C)(Cc1ccc(F)c(F)c1)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H17F2NO2Si/c1-24(2,10-12-7-8-15(19)16(20)9-12)11-21-17(22)13-5-3-4-6-14(13)18(21)23/h3-9H,10-11H2,1-2H3
InChIKeyLHASMHPMEZZOBS-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.59
Rot. Bonds4

About 2-[[(3,4-difluorophenyl)methyl-dimethylsilyl]methyl]isoindole-1,3-dione

2-[[(3,4-difluorophenyl)methyl-dimethylsilyl]methyl]isoindole-1,3-dione (PubChem CID 15225547) has the molecular formula C18H17F2NO2Si and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-[[(3,4-difluorophenyl)methyl-dimethylsilyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[(3,4-difluorophenyl)methyl-dimethylsilyl]methyl]isoindole-1,3-dione
PubChem CID15225547
Molecular FormulaC18H17F2NO2Si
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name2-[[(3,4-difluorophenyl)methyl-dimethylsilyl]methyl]isoindole-1,3-dione
SMILESC[Si](C)(Cc1ccc(F)c(F)c1)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H17F2NO2Si/c1-24(2,10-12-7-8-15(19)16(20)9-12)11-21-17(22)13-5-3-4-6-14(13)18(21)23/h3-9H,10-11H2,1-2H3
InChIKeyLHASMHPMEZZOBS-UHFFFAOYSA-N
XLogP3.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3,4-difluorophenyl)methyl-dimethylsilyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[(3,4-difluorophenyl)methyl-dimethylsilyl]methyl]isoindole-1,3-dione (CID 15225547) is 2-[[(3,4-difluorophenyl)methyl-dimethylsilyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[(3,4-difluorophenyl)methyl-dimethylsilyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[(3,4-difluorophenyl)methyl-dimethylsilyl]methyl]isoindole-1,3-dione is C[Si](C)(Cc1ccc(F)c(F)c1)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[[(3,4-difluorophenyl)methyl-dimethylsilyl]methyl]isoindole-1,3-dione?
The InChIKey is LHASMHPMEZZOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO2Si/c1-24(2,10-12-7-8-15(19)16(20)9-12)11-21-17(22)13-5-3-4-6-14(13)18(21)23/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-[[(3,4-difluorophenyl)methyl-dimethylsilyl]methyl]isoindole-1,3-dione?
2-[[(3,4-difluorophenyl)methyl-dimethylsilyl]methyl]isoindole-1,3-dione has a molecular weight of 345.42 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,4-difluorophenyl)methyl-dimethylsilyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 15225547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).