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

C16H11F2NO3 — CID 110885169

IUPAC2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(O)c1ccc(F)cc1F
InChIInChI=1S/C16H11F2NO3/c17-9-5-6-12(13(18)7-9)14(20)8-19-15(21)10-3-1-2-4-11(10)16(19)22/h1-7,14,20H,8H2
InChIKeyNYXZQFZTUHESHP-UHFFFAOYSA-N
MW303.26 g/mol
LogP2.29
Rot. Bonds3

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

2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione (PubChem CID 110885169) has the molecular formula C16H11F2NO3 and a molecular weight of 303.26 g/mol. Its IUPAC name is 2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
PubChem CID110885169
Molecular FormulaC16H11F2NO3
Molecular Weight303.26 g/mol
Exact Mass303.07
IUPAC Name2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(O)c1ccc(F)cc1F
InChIInChI=1S/C16H11F2NO3/c17-9-5-6-12(13(18)7-9)14(20)8-19-15(21)10-3-1-2-4-11(10)16(19)22/h1-7,14,20H,8H2
InChIKeyNYXZQFZTUHESHP-UHFFFAOYSA-N
XLogP2.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione (CID 110885169) is 2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CC(O)c1ccc(F)cc1F.
What is the InChIKey of 2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione?
The InChIKey is NYXZQFZTUHESHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO3/c17-9-5-6-12(13(18)7-9)14(20)8-19-15(21)10-3-1-2-4-11(10)16(19)22/h1-7,14,20H,8H2.
What are the key properties of 2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione?
2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione has a molecular weight of 303.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione is sourced from PubChem (CID 110885169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).