2-[ethoxy-(4-fluorophenyl)phosphoryl]isoindole-1,3-dione

C16H13FNO4P — CID 132541888

IUPAC2-[ethoxy-(4-fluorophenyl)phosphoryl]isoindole-1,3-dione
SMILESCCOP(=O)(c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H13FNO4P/c1-2-22-23(21,12-9-7-11(17)8-10-12)18-15(19)13-5-3-4-6-14(13)16(18)20/h3-10H,2H2,1H3
InChIKeyIGIDXDQUJKQWQB-UHFFFAOYSA-N
MW333.26 g/mol
LogP2.98
Rot. Bonds4

About 2-[ethoxy-(4-fluorophenyl)phosphoryl]isoindole-1,3-dione

2-[ethoxy-(4-fluorophenyl)phosphoryl]isoindole-1,3-dione (PubChem CID 132541888) has the molecular formula C16H13FNO4P and a molecular weight of 333.26 g/mol. Its IUPAC name is 2-[ethoxy-(4-fluorophenyl)phosphoryl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[ethoxy-(4-fluorophenyl)phosphoryl]isoindole-1,3-dione
PubChem CID132541888
Molecular FormulaC16H13FNO4P
Molecular Weight333.26 g/mol
Exact Mass333.06
IUPAC Name2-[ethoxy-(4-fluorophenyl)phosphoryl]isoindole-1,3-dione
SMILESCCOP(=O)(c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H13FNO4P/c1-2-22-23(21,12-9-7-11(17)8-10-12)18-15(19)13-5-3-4-6-14(13)16(18)20/h3-10H,2H2,1H3
InChIKeyIGIDXDQUJKQWQB-UHFFFAOYSA-N
XLogP2.98
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(12-diethoxyphosphoryldodecyl)isoindole-1,3-dione
CID 86653412
2-(2-diethoxyphosphoryl-2,2-difluoroethyl)isoindole-1,3-dione
CID 86606190
(1,3-dioxoisoindol-2-yl)methyl-ethoxyphosphinic acid
CID 11174264
2-[(1R,2S)-1-diethoxyphosphoryl-1-hydroxypropan-2-yl]isoindole-1,3-dione
CID 14711151
2-[2-[chloro(ethoxy)phosphoryl]ethyl]isoindole-1,3-dione
CID 102021164
diethyl (4-oxo-1,2-dihydro-1,2,3-benzotriazin-3-yl) phosphate
CID 101060401
1-[dideuterio(diethoxyphosphoryl)methyl]-4-fluorobenzene
CID 10060553
methyl 2-(1,3-dioxoisoindol-2-yl)-2-(4-fluorophenyl)butanoate
CID 138110757
(R)-[ethoxy(phenyl)phosphoryl]-(4-fluorophenyl)methanol
CID 11860165
2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2774444
1-diethoxyphosphoryl-4-phenylbenzene
CID 12670613
2-[4-[ethoxy(iodomethoxy)phosphoryl]-4-hydroxybutyl]isoindole-1,3-dione
CID 90364643

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy-(4-fluorophenyl)phosphoryl]isoindole-1,3-dione?
The IUPAC name of 2-[ethoxy-(4-fluorophenyl)phosphoryl]isoindole-1,3-dione (CID 132541888) is 2-[ethoxy-(4-fluorophenyl)phosphoryl]isoindole-1,3-dione.
What is the SMILES notation for 2-[ethoxy-(4-fluorophenyl)phosphoryl]isoindole-1,3-dione?
The canonical SMILES for 2-[ethoxy-(4-fluorophenyl)phosphoryl]isoindole-1,3-dione is CCOP(=O)(c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[ethoxy-(4-fluorophenyl)phosphoryl]isoindole-1,3-dione?
The InChIKey is IGIDXDQUJKQWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FNO4P/c1-2-22-23(21,12-9-7-11(17)8-10-12)18-15(19)13-5-3-4-6-14(13)16(18)20/h3-10H,2H2,1H3.
What are the key properties of 2-[ethoxy-(4-fluorophenyl)phosphoryl]isoindole-1,3-dione?
2-[ethoxy-(4-fluorophenyl)phosphoryl]isoindole-1,3-dione has a molecular weight of 333.26 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy-(4-fluorophenyl)phosphoryl]isoindole-1,3-dione is sourced from PubChem (CID 132541888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).