5-[(4-fluorophenyl)methoxy]-2-(3,3,3-trifluoro-2-hydroxypropyl)isoindole-1,3-dione

C18H13F4NO4 — CID 22397085

IUPAC5-[(4-fluorophenyl)methoxy]-2-(3,3,3-trifluoro-2-hydroxypropyl)isoindole-1,3-dione
SMILESO=C1c2ccc(OCc3ccc(F)cc3)cc2C(=O)N1CC(O)C(F)(F)F
InChIInChI=1S/C18H13F4NO4/c19-11-3-1-10(2-4-11)9-27-12-5-6-13-14(7-12)17(26)23(16(13)25)8-15(24)18(20,21)22/h1-7,15,24H,8-9H2
InChIKeyMFDUENNQMPRAEC-UHFFFAOYSA-N
MW383.30 g/mol
LogP2.92
Rot. Bonds5

About 5-[(4-fluorophenyl)methoxy]-2-(3,3,3-trifluoro-2-hydroxypropyl)isoindole-1,3-dione

5-[(4-fluorophenyl)methoxy]-2-(3,3,3-trifluoro-2-hydroxypropyl)isoindole-1,3-dione (PubChem CID 22397085) has the molecular formula C18H13F4NO4 and a molecular weight of 383.30 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-2-(3,3,3-trifluoro-2-hydroxypropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-2-(3,3,3-trifluoro-2-hydroxypropyl)isoindole-1,3-dione
PubChem CID22397085
Molecular FormulaC18H13F4NO4
Molecular Weight383.30 g/mol
Exact Mass383.08
IUPAC Name5-[(4-fluorophenyl)methoxy]-2-(3,3,3-trifluoro-2-hydroxypropyl)isoindole-1,3-dione
SMILESO=C1c2ccc(OCc3ccc(F)cc3)cc2C(=O)N1CC(O)C(F)(F)F
InChIInChI=1S/C18H13F4NO4/c19-11-3-1-10(2-4-11)9-27-12-5-6-13-14(7-12)17(26)23(16(13)25)8-15(24)18(20,21)22/h1-7,15,24H,8-9H2
InChIKeyMFDUENNQMPRAEC-UHFFFAOYSA-N
XLogP2.92
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(4-fluorophenyl)methoxy]-2-(3,3,3-trifluoro-2-hydroxypropyl)isoindole-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

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-(3,3,3-trifluoro-2-hydroxypropyl)isoindole-1,3-dione?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-(3,3,3-trifluoro-2-hydroxypropyl)isoindole-1,3-dione (CID 22397085) is 5-[(4-fluorophenyl)methoxy]-2-(3,3,3-trifluoro-2-hydroxypropyl)isoindole-1,3-dione.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-2-(3,3,3-trifluoro-2-hydroxypropyl)isoindole-1,3-dione?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-2-(3,3,3-trifluoro-2-hydroxypropyl)isoindole-1,3-dione is O=C1c2ccc(OCc3ccc(F)cc3)cc2C(=O)N1CC(O)C(F)(F)F.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-2-(3,3,3-trifluoro-2-hydroxypropyl)isoindole-1,3-dione?
The InChIKey is MFDUENNQMPRAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4NO4/c19-11-3-1-10(2-4-11)9-27-12-5-6-13-14(7-12)17(26)23(16(13)25)8-15(24)18(20,21)22/h1-7,15,24H,8-9H2.
What are the key properties of 5-[(4-fluorophenyl)methoxy]-2-(3,3,3-trifluoro-2-hydroxypropyl)isoindole-1,3-dione?
5-[(4-fluorophenyl)methoxy]-2-(3,3,3-trifluoro-2-hydroxypropyl)isoindole-1,3-dione has a molecular weight of 383.30 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-2-(3,3,3-trifluoro-2-hydroxypropyl)isoindole-1,3-dione is sourced from PubChem (CID 22397085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).