6-fluoro-3,4-dihydroisoquinoline

C9H8FN — CID 19748163

IUPAC6-fluoro-3,4-dihydroisoquinoline
SMILESFc1ccc2c(c1)CCN=C2
InChIInChI=1S/C9H8FN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5-6H,3-4H2
InChIKeyYJYBBTWKMTXJCK-UHFFFAOYSA-N
MW149.17 g/mol
LogP1.80
Rot. Bonds

About 6-fluoro-3,4-dihydroisoquinoline

6-fluoro-3,4-dihydroisoquinoline (PubChem CID 19748163) has the molecular formula C9H8FN and a molecular weight of 149.17 g/mol. Its IUPAC name is 6-fluoro-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6-fluoro-3,4-dihydroisoquinoline
PubChem CID19748163
Molecular FormulaC9H8FN
Molecular Weight149.17 g/mol
Exact Mass149.06
IUPAC Name6-fluoro-3,4-dihydroisoquinoline
SMILESFc1ccc2c(c1)CCN=C2
InChIInChI=1S/C9H8FN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5-6H,3-4H2
InChIKeyYJYBBTWKMTXJCK-UHFFFAOYSA-N
XLogP1.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,4-dihydroisoquinoline?
The IUPAC name of 6-fluoro-3,4-dihydroisoquinoline (CID 19748163) is 6-fluoro-3,4-dihydroisoquinoline.
What is the SMILES notation for 6-fluoro-3,4-dihydroisoquinoline?
The canonical SMILES for 6-fluoro-3,4-dihydroisoquinoline is Fc1ccc2c(c1)CCN=C2.
What is the InChIKey of 6-fluoro-3,4-dihydroisoquinoline?
The InChIKey is YJYBBTWKMTXJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5-6H,3-4H2.
What are the key properties of 6-fluoro-3,4-dihydroisoquinoline?
6-fluoro-3,4-dihydroisoquinoline has a molecular weight of 149.17 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,4-dihydroisoquinoline is sourced from PubChem (CID 19748163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).