6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole

C9H10FNO — CID 130064518

IUPAC6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole
SMILESCOc1cc(F)cc2c1CNC2
InChIInChI=1S/C9H10FNO/c1-12-9-3-7(10)2-6-4-11-5-8(6)9/h2-3,11H,4-5H2,1H3
InChIKeyCHMFHDFJYUBGQC-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.44
Rot. Bonds1

About 6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole

6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole (PubChem CID 130064518) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole
PubChem CID130064518
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole
SMILESCOc1cc(F)cc2c1CNC2
InChIInChI=1S/C9H10FNO/c1-12-9-3-7(10)2-6-4-11-5-8(6)9/h2-3,11H,4-5H2,1H3
InChIKeyCHMFHDFJYUBGQC-UHFFFAOYSA-N
XLogP1.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-4-methoxy-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 6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole?
The IUPAC name of 6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole (CID 130064518) is 6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole?
The canonical SMILES for 6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole is COc1cc(F)cc2c1CNC2.
What is the InChIKey of 6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole?
The InChIKey is CHMFHDFJYUBGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-12-9-3-7(10)2-6-4-11-5-8(6)9/h2-3,11H,4-5H2,1H3.
What are the key properties of 6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole?
6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole has a molecular weight of 167.18 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methoxy-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 130064518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).