4,6-difluoro-2,3-dihydro-1H-isoindole

C8H7F2N — CID 117275596

IUPAC4,6-difluoro-2,3-dihydro-1H-isoindole
SMILESFc1cc(F)c2c(c1)CNC2
InChIInChI=1S/C8H7F2N/c9-6-1-5-3-11-4-7(5)8(10)2-6/h1-2,11H,3-4H2
InChIKeyFWBHIHDAOIYJOE-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.57
Rot. Bonds

About 4,6-difluoro-2,3-dihydro-1H-isoindole

4,6-difluoro-2,3-dihydro-1H-isoindole (PubChem CID 117275596) has the molecular formula C8H7F2N and a molecular weight of 155.15 g/mol. Its IUPAC name is 4,6-difluoro-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name4,6-difluoro-2,3-dihydro-1H-isoindole
PubChem CID117275596
Molecular FormulaC8H7F2N
Molecular Weight155.15 g/mol
Exact Mass155.05
IUPAC Name4,6-difluoro-2,3-dihydro-1H-isoindole
SMILESFc1cc(F)c2c(c1)CNC2
InChIInChI=1S/C8H7F2N/c9-6-1-5-3-11-4-7(5)8(10)2-6/h1-2,11H,3-4H2
InChIKeyFWBHIHDAOIYJOE-UHFFFAOYSA-N
XLogP1.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2,3-dihydro-1H-isoindole?
The IUPAC name of 4,6-difluoro-2,3-dihydro-1H-isoindole (CID 117275596) is 4,6-difluoro-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 4,6-difluoro-2,3-dihydro-1H-isoindole?
The canonical SMILES for 4,6-difluoro-2,3-dihydro-1H-isoindole is Fc1cc(F)c2c(c1)CNC2.
What is the InChIKey of 4,6-difluoro-2,3-dihydro-1H-isoindole?
The InChIKey is FWBHIHDAOIYJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N/c9-6-1-5-3-11-4-7(5)8(10)2-6/h1-2,11H,3-4H2.
What are the key properties of 4,6-difluoro-2,3-dihydro-1H-isoindole?
4,6-difluoro-2,3-dihydro-1H-isoindole has a molecular weight of 155.15 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 117275596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).