2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-fluoroisoindole-1,3-dione

C16H10F3NO3 — CID 111751775

IUPAC2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-fluoroisoindole-1,3-dione
SMILESO=C1c2ccc(F)cc2C(=O)N1CC(O)c1ccc(F)cc1F
InChIInChI=1S/C16H10F3NO3/c17-8-1-3-10-12(5-8)16(23)20(15(10)22)7-14(21)11-4-2-9(18)6-13(11)19/h1-6,14,21H,7H2
InChIKeyVTEZZBWGHGRLJJ-UHFFFAOYSA-N
MW321.25 g/mol
LogP2.43
Rot. Bonds3

About 2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-fluoroisoindole-1,3-dione

2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-fluoroisoindole-1,3-dione (PubChem CID 111751775) has the molecular formula C16H10F3NO3 and a molecular weight of 321.25 g/mol. Its IUPAC name is 2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-fluoroisoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-fluoroisoindole-1,3-dione
PubChem CID111751775
Molecular FormulaC16H10F3NO3
Molecular Weight321.25 g/mol
Exact Mass321.06
IUPAC Name2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-fluoroisoindole-1,3-dione
SMILESO=C1c2ccc(F)cc2C(=O)N1CC(O)c1ccc(F)cc1F
InChIInChI=1S/C16H10F3NO3/c17-8-1-3-10-12(5-8)16(23)20(15(10)22)7-14(21)11-4-2-9(18)6-13(11)19/h1-6,14,21H,7H2
InChIKeyVTEZZBWGHGRLJJ-UHFFFAOYSA-N
XLogP2.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-fluoroisoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 110885169
2-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-5-fluoroisoindole-1,3-dione
CID 111751776
2-[2-(2-fluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 42946404
1-(2,4-difluorophenyl)-2-(1,2,4-triazol-4-yl)ethanol
CID 109400824
(5R)-3-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methyl-5-propylimidazolidine-2,4-dione
CID 94389748
2-[2-(2,5-dichlorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 91136158
1-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 61087910
3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94385394
2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 56815008
2-(2-chloroethyl)-5-fluoroisoindole-1,3-dione
CID 25417104
3-(2,4-difluorophenyl)-3-hydroxypropanamide
CID 69415011
3-(5-fluoro-1,3-dioxoisoindol-2-yl)propanoate
CID 3305675

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-fluoroisoindole-1,3-dione?
The IUPAC name of 2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-fluoroisoindole-1,3-dione (CID 111751775) is 2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-fluoroisoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-fluoroisoindole-1,3-dione?
The canonical SMILES for 2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-fluoroisoindole-1,3-dione is O=C1c2ccc(F)cc2C(=O)N1CC(O)c1ccc(F)cc1F.
What is the InChIKey of 2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-fluoroisoindole-1,3-dione?
The InChIKey is VTEZZBWGHGRLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO3/c17-8-1-3-10-12(5-8)16(23)20(15(10)22)7-14(21)11-4-2-9(18)6-13(11)19/h1-6,14,21H,7H2.
What are the key properties of 2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-fluoroisoindole-1,3-dione?
2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-fluoroisoindole-1,3-dione has a molecular weight of 321.25 g/mol, XLogP of 2.43, 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]-5-fluoroisoindole-1,3-dione is sourced from PubChem (CID 111751775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).