2-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]isoindole-1,3-dione

C17H12FNO2 — CID 155143259

IUPAC2-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@H]1C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H12FNO2/c18-11-7-5-10(6-8-11)14-9-15(14)19-16(20)12-3-1-2-4-13(12)17(19)21/h1-8,14-15H,9H2/t14-,15+/m1/s1
InChIKeyZQQPWIMOVQTNHM-CABCVRRESA-N
MW281.29 g/mol
LogP2.98
Rot. Bonds2

About 2-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]isoindole-1,3-dione

2-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]isoindole-1,3-dione (PubChem CID 155143259) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]isoindole-1,3-dione
PubChem CID155143259
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name2-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@H]1C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H12FNO2/c18-11-7-5-10(6-8-11)14-9-15(14)19-16(20)12-3-1-2-4-13(12)17(19)21/h1-8,14-15H,9H2/t14-,15+/m1/s1
InChIKeyZQQPWIMOVQTNHM-CABCVRRESA-N
XLogP2.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]isoindole-1,3-dione?
The IUPAC name of 2-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]isoindole-1,3-dione (CID 155143259) is 2-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1[C@H]1C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of 2-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]isoindole-1,3-dione?
The InChIKey is ZQQPWIMOVQTNHM-CABCVRRESA-N. The full InChI is InChI=1S/C17H12FNO2/c18-11-7-5-10(6-8-11)14-9-15(14)19-16(20)12-3-1-2-4-13(12)17(19)21/h1-8,14-15H,9H2/t14-,15+/m1/s1.
What are the key properties of 2-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]isoindole-1,3-dione?
2-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]isoindole-1,3-dione has a molecular weight of 281.29 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]isoindole-1,3-dione is sourced from PubChem (CID 155143259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).