(1S)-1-fluoro-2,3-dihydro-1H-isoindole

C8H8FN — CID 97110854

IUPAC(1S)-1-fluoro-2,3-dihydro-1H-isoindole
SMILESF[C@@H]1NCc2ccccc21
InChIInChI=1S/C8H8FN/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,8,10H,5H2/t8-/m1/s1
InChIKeyQHHIRXCIZQLEDO-MRVPVSSYSA-N
MW137.16 g/mol
LogP1.76
Rot. Bonds

About (1S)-1-fluoro-2,3-dihydro-1H-isoindole

(1S)-1-fluoro-2,3-dihydro-1H-isoindole (PubChem CID 97110854) has the molecular formula C8H8FN and a molecular weight of 137.16 g/mol. Its IUPAC name is (1S)-1-fluoro-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name(1S)-1-fluoro-2,3-dihydro-1H-isoindole
PubChem CID97110854
Molecular FormulaC8H8FN
Molecular Weight137.16 g/mol
Exact Mass137.06
IUPAC Name(1S)-1-fluoro-2,3-dihydro-1H-isoindole
SMILESF[C@@H]1NCc2ccccc21
InChIInChI=1S/C8H8FN/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,8,10H,5H2/t8-/m1/s1
InChIKeyQHHIRXCIZQLEDO-MRVPVSSYSA-N
XLogP1.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze (1S)-1-fluoro-2,3-dihydro-1H-isoindole 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 (1S)-1-fluoro-2,3-dihydro-1H-isoindole?
The IUPAC name of (1S)-1-fluoro-2,3-dihydro-1H-isoindole (CID 97110854) is (1S)-1-fluoro-2,3-dihydro-1H-isoindole.
What is the SMILES notation for (1S)-1-fluoro-2,3-dihydro-1H-isoindole?
The canonical SMILES for (1S)-1-fluoro-2,3-dihydro-1H-isoindole is F[C@@H]1NCc2ccccc21.
What is the InChIKey of (1S)-1-fluoro-2,3-dihydro-1H-isoindole?
The InChIKey is QHHIRXCIZQLEDO-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H8FN/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,8,10H,5H2/t8-/m1/s1.
What are the key properties of (1S)-1-fluoro-2,3-dihydro-1H-isoindole?
(1S)-1-fluoro-2,3-dihydro-1H-isoindole has a molecular weight of 137.16 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-fluoro-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 97110854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).