5-Chloro-4-fluoroindoline hydrochloride

C₈H₈Cl₂FN — CID 135392566

About 5-Chloro-4-fluoroindoline hydrochloride

5-Chloro-4-fluoroindoline hydrochloride (PubChem CID 135392566) has the molecular formula C₈H₈Cl₂FN and a molecular weight of 208.06 g/mol. Its IUPAC name is 5-chloro-4-fluoro-2,3-dihydro-1H-indole;hydrochloride.

Molecular Properties

• Compound Name: 5-Chloro-4-fluoroindoline hydrochloride
• PubChem CID: 135392566
• Molecular Formula: C₈H₈Cl₂FN
• Molecular Weight: 208.06 g/mol
• Exact Mass: 207.00
• IUPAC Name: 5-chloro-4-fluoro-2,3-dihydro-1H-indole;hydrochloride
• SMILES: Cl.Fc1c(Cl)ccc2c1CCN2
• InChI: InChI=1S/C8H7ClFN.ClH/c9-6-1-2-7-5(8(6)10)3-4-11-7;/h1-2,11H,3-4H2;1H
• InChIKey: ZOOBELAFLMMWGC-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	208.06
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 5-Chloro-4-fluoroindoline hydrochloride?

The IUPAC name of 5-Chloro-4-fluoroindoline hydrochloride (CID 135392566) is 5-chloro-4-fluoro-2,3-dihydro-1H-indole;hydrochloride.

What is the SMILES notation for 5-Chloro-4-fluoroindoline hydrochloride?

The canonical SMILES for 5-Chloro-4-fluoroindoline hydrochloride is Cl.Fc1c(Cl)ccc2c1CCN2.

What is the InChIKey of 5-Chloro-4-fluoroindoline hydrochloride?

The InChIKey is ZOOBELAFLMMWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFN.ClH/c9-6-1-2-7-5(8(6)10)3-4-11-7;/h1-2,11H,3-4H2;1H.

What are the key properties of 5-Chloro-4-fluoroindoline hydrochloride?

5-Chloro-4-fluoroindoline hydrochloride has a molecular weight of 208.06 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5-Chloro-4-fluoroindoline hydrochloride is sourced from PubChem (CID 135392566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135392566 — identifiers, structure, computed properties (public domain)

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