4-(1-fluoroethyl)-2,3-dihydro-1H-isoindole

C10H12FN — CID 84652151

IUPAC4-(1-fluoroethyl)-2,3-dihydro-1H-isoindole
SMILESCC(F)c1cccc2c1CNC2
InChIInChI=1S/C10H12FN/c1-7(11)9-4-2-3-8-5-12-6-10(8)9/h2-4,7,12H,5-6H2,1H3
InChIKeyRXSSHSIXHJPCNG-UHFFFAOYSA-N
MW165.21 g/mol
LogP2.32
Rot. Bonds1

About 4-(1-fluoroethyl)-2,3-dihydro-1H-isoindole

4-(1-fluoroethyl)-2,3-dihydro-1H-isoindole (PubChem CID 84652151) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 4-(1-fluoroethyl)-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name4-(1-fluoroethyl)-2,3-dihydro-1H-isoindole
PubChem CID84652151
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name4-(1-fluoroethyl)-2,3-dihydro-1H-isoindole
SMILESCC(F)c1cccc2c1CNC2
InChIInChI=1S/C10H12FN/c1-7(11)9-4-2-3-8-5-12-6-10(8)9/h2-4,7,12H,5-6H2,1H3
InChIKeyRXSSHSIXHJPCNG-UHFFFAOYSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(1-fluoroethyl)-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 4-(1-fluoroethyl)-2,3-dihydro-1H-isoindole?
The IUPAC name of 4-(1-fluoroethyl)-2,3-dihydro-1H-isoindole (CID 84652151) is 4-(1-fluoroethyl)-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 4-(1-fluoroethyl)-2,3-dihydro-1H-isoindole?
The canonical SMILES for 4-(1-fluoroethyl)-2,3-dihydro-1H-isoindole is CC(F)c1cccc2c1CNC2.
What is the InChIKey of 4-(1-fluoroethyl)-2,3-dihydro-1H-isoindole?
The InChIKey is RXSSHSIXHJPCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c1-7(11)9-4-2-3-8-5-12-6-10(8)9/h2-4,7,12H,5-6H2,1H3.
What are the key properties of 4-(1-fluoroethyl)-2,3-dihydro-1H-isoindole?
4-(1-fluoroethyl)-2,3-dihydro-1H-isoindole has a molecular weight of 165.21 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethyl)-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 84652151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).