2-(fluoromethyl)-1,3-dihydroisoindole

C9H10FN — CID 137409203

IUPAC2-(fluoromethyl)-1,3-dihydroisoindole
SMILESFCN1Cc2ccccc2C1
InChIInChI=1S/C9H10FN/c10-7-11-5-8-3-1-2-4-9(8)6-11/h1-4H,5-7H2
InChIKeyTZRUBWGUGRDKCH-UHFFFAOYSA-N
MW151.18 g/mol
LogP1.93
Rot. Bonds1

About 2-(fluoromethyl)-1,3-dihydroisoindole

2-(fluoromethyl)-1,3-dihydroisoindole (PubChem CID 137409203) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is 2-(fluoromethyl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(fluoromethyl)-1,3-dihydroisoindole
PubChem CID137409203
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Name2-(fluoromethyl)-1,3-dihydroisoindole
SMILESFCN1Cc2ccccc2C1
InChIInChI=1S/C9H10FN/c10-7-11-5-8-3-1-2-4-9(8)6-11/h1-4H,5-7H2
InChIKeyTZRUBWGUGRDKCH-UHFFFAOYSA-N
XLogP1.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(fluoromethyl)-1,3-dihydroisoindole 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 2-(fluoromethyl)-1,3-dihydroisoindole?
The IUPAC name of 2-(fluoromethyl)-1,3-dihydroisoindole (CID 137409203) is 2-(fluoromethyl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-(fluoromethyl)-1,3-dihydroisoindole?
The canonical SMILES for 2-(fluoromethyl)-1,3-dihydroisoindole is FCN1Cc2ccccc2C1.
What is the InChIKey of 2-(fluoromethyl)-1,3-dihydroisoindole?
The InChIKey is TZRUBWGUGRDKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN/c10-7-11-5-8-3-1-2-4-9(8)6-11/h1-4H,5-7H2.
What are the key properties of 2-(fluoromethyl)-1,3-dihydroisoindole?
2-(fluoromethyl)-1,3-dihydroisoindole has a molecular weight of 151.18 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-1,3-dihydroisoindole is sourced from PubChem (CID 137409203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).