4-fluoro-2,3-dihydro-1H-isoindole;hydrochloride

C8H9ClFN — CID 42609643

IUPAC4-fluoro-2,3-dihydro-1H-isoindole;hydrochloride
SMILESCl.Fc1cccc2c1CNC2
InChIInChI=1S/C8H8FN.ClH/c9-8-3-1-2-6-4-10-5-7(6)8;/h1-3,10H,4-5H2;1H
InChIKeyMKNPYNGKUKUSFB-UHFFFAOYSA-N
MW173.62 g/mol
LogP1.85
Rot. Bonds

About 4-fluoro-2,3-dihydro-1H-isoindole;hydrochloride

4-fluoro-2,3-dihydro-1H-isoindole;hydrochloride (PubChem CID 42609643) has the molecular formula C8H9ClFN and a molecular weight of 173.62 g/mol. Its IUPAC name is 4-fluoro-2,3-dihydro-1H-isoindole;hydrochloride.

Molecular Properties

Compound Name4-fluoro-2,3-dihydro-1H-isoindole;hydrochloride
PubChem CID42609643
Molecular FormulaC8H9ClFN
Molecular Weight173.62 g/mol
Exact Mass173.04
IUPAC Name4-fluoro-2,3-dihydro-1H-isoindole;hydrochloride
SMILESCl.Fc1cccc2c1CNC2
InChIInChI=1S/C8H8FN.ClH/c9-8-3-1-2-6-4-10-5-7(6)8;/h1-3,10H,4-5H2;1H
InChIKeyMKNPYNGKUKUSFB-UHFFFAOYSA-N
XLogP1.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.62
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,3-dihydro-1H-isoindole;hydrochloride?
The IUPAC name of 4-fluoro-2,3-dihydro-1H-isoindole;hydrochloride (CID 42609643) is 4-fluoro-2,3-dihydro-1H-isoindole;hydrochloride.
What is the SMILES notation for 4-fluoro-2,3-dihydro-1H-isoindole;hydrochloride?
The canonical SMILES for 4-fluoro-2,3-dihydro-1H-isoindole;hydrochloride is Cl.Fc1cccc2c1CNC2.
What is the InChIKey of 4-fluoro-2,3-dihydro-1H-isoindole;hydrochloride?
The InChIKey is MKNPYNGKUKUSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN.ClH/c9-8-3-1-2-6-4-10-5-7(6)8;/h1-3,10H,4-5H2;1H.
What are the key properties of 4-fluoro-2,3-dihydro-1H-isoindole;hydrochloride?
4-fluoro-2,3-dihydro-1H-isoindole;hydrochloride has a molecular weight of 173.62 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,3-dihydro-1H-isoindole;hydrochloride is sourced from PubChem (CID 42609643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).