1-ethyl-5,6-difluoro-2,3-dihydro-1H-isoindole;hydrochloride

C10H12ClF2N — CID 153364867

IUPAC1-ethyl-5,6-difluoro-2,3-dihydro-1H-isoindole;hydrochloride
SMILESCCC1NCc2cc(F)c(F)cc21.Cl
InChIInChI=1S/C10H11F2N.ClH/c1-2-10-7-4-9(12)8(11)3-6(7)5-13-10;/h3-4,10,13H,2,5H2,1H3;1H
InChIKeyQOPRZLBVGANNFI-UHFFFAOYSA-N
MW219.66 g/mol
LogP2.94
Rot. Bonds1

About 1-ethyl-5,6-difluoro-2,3-dihydro-1H-isoindole;hydrochloride

1-ethyl-5,6-difluoro-2,3-dihydro-1H-isoindole;hydrochloride (PubChem CID 153364867) has the molecular formula C10H12ClF2N and a molecular weight of 219.66 g/mol. Its IUPAC name is 1-ethyl-5,6-difluoro-2,3-dihydro-1H-isoindole;hydrochloride.

Molecular Properties

Compound Name1-ethyl-5,6-difluoro-2,3-dihydro-1H-isoindole;hydrochloride
PubChem CID153364867
Molecular FormulaC10H12ClF2N
Molecular Weight219.66 g/mol
Exact Mass219.06
IUPAC Name1-ethyl-5,6-difluoro-2,3-dihydro-1H-isoindole;hydrochloride
SMILESCCC1NCc2cc(F)c(F)cc21.Cl
InChIInChI=1S/C10H11F2N.ClH/c1-2-10-7-4-9(12)8(11)3-6(7)5-13-10;/h3-4,10,13H,2,5H2,1H3;1H
InChIKeyQOPRZLBVGANNFI-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.66
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-ethyl-5,6-difluoro-2,3-dihydro-1H-isoindole;hydrochloride 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 1-ethyl-5,6-difluoro-2,3-dihydro-1H-isoindole;hydrochloride?
The IUPAC name of 1-ethyl-5,6-difluoro-2,3-dihydro-1H-isoindole;hydrochloride (CID 153364867) is 1-ethyl-5,6-difluoro-2,3-dihydro-1H-isoindole;hydrochloride.
What is the SMILES notation for 1-ethyl-5,6-difluoro-2,3-dihydro-1H-isoindole;hydrochloride?
The canonical SMILES for 1-ethyl-5,6-difluoro-2,3-dihydro-1H-isoindole;hydrochloride is CCC1NCc2cc(F)c(F)cc21.Cl.
What is the InChIKey of 1-ethyl-5,6-difluoro-2,3-dihydro-1H-isoindole;hydrochloride?
The InChIKey is QOPRZLBVGANNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N.ClH/c1-2-10-7-4-9(12)8(11)3-6(7)5-13-10;/h3-4,10,13H,2,5H2,1H3;1H.
What are the key properties of 1-ethyl-5,6-difluoro-2,3-dihydro-1H-isoindole;hydrochloride?
1-ethyl-5,6-difluoro-2,3-dihydro-1H-isoindole;hydrochloride has a molecular weight of 219.66 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5,6-difluoro-2,3-dihydro-1H-isoindole;hydrochloride is sourced from PubChem (CID 153364867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).