8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C9H11ClFN — CID 45074043

IUPAC8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCl.Fc1cccc2c1CNCC2
InChIInChI=1S/C9H10FN.ClH/c10-9-3-1-2-7-4-5-11-6-8(7)9;/h1-3,11H,4-6H2;1H
InChIKeyXUNYWMOWUBYEHA-UHFFFAOYSA-N
MW187.65 g/mol
LogP1.89
Rot. Bonds

About 8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride

8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 45074043) has the molecular formula C9H11ClFN and a molecular weight of 187.65 g/mol. Its IUPAC name is 8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID45074043
Molecular FormulaC9H11ClFN
Molecular Weight187.65 g/mol
Exact Mass187.06
IUPAC Name8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCl.Fc1cccc2c1CNCC2
InChIInChI=1S/C9H10FN.ClH/c10-9-3-1-2-7-4-5-11-6-8(7)9;/h1-3,11H,4-6H2;1H
InChIKeyXUNYWMOWUBYEHA-UHFFFAOYSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 45074043) is 8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride is Cl.Fc1cccc2c1CNCC2.
What is the InChIKey of 8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is XUNYWMOWUBYEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN.ClH/c10-9-3-1-2-7-4-5-11-6-8(7)9;/h1-3,11H,4-6H2;1H.
What are the key properties of 8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 187.65 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 45074043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).