8-fluoro-2-(5-oxaspiro[3.5]nonan-2-yl)-3,4-dihydro-1H-isoquinoline

C17H22FNO — CID 174236347

IUPAC8-fluoro-2-(5-oxaspiro[3.5]nonan-2-yl)-3,4-dihydro-1H-isoquinoline
SMILESFc1cccc2c1CN(C1CC3(CCCCO3)C1)CC2
InChIInChI=1S/C17H22FNO/c18-16-5-3-4-13-6-8-19(12-15(13)16)14-10-17(11-14)7-1-2-9-20-17/h3-5,14H,1-2,6-12H2
InChIKeyMZTNEMXAAIKBQS-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.29
Rot. Bonds1

About 8-fluoro-2-(5-oxaspiro[3.5]nonan-2-yl)-3,4-dihydro-1H-isoquinoline

8-fluoro-2-(5-oxaspiro[3.5]nonan-2-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 174236347) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is 8-fluoro-2-(5-oxaspiro[3.5]nonan-2-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name8-fluoro-2-(5-oxaspiro[3.5]nonan-2-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID174236347
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name8-fluoro-2-(5-oxaspiro[3.5]nonan-2-yl)-3,4-dihydro-1H-isoquinoline
SMILESFc1cccc2c1CN(C1CC3(CCCCO3)C1)CC2
InChIInChI=1S/C17H22FNO/c18-16-5-3-4-13-6-8-19(12-15(13)16)14-10-17(11-14)7-1-2-9-20-17/h3-5,14H,1-2,6-12H2
InChIKeyMZTNEMXAAIKBQS-UHFFFAOYSA-N
XLogP3.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-(5-oxaspiro[3.5]nonan-2-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 8-fluoro-2-(5-oxaspiro[3.5]nonan-2-yl)-3,4-dihydro-1H-isoquinoline (CID 174236347) is 8-fluoro-2-(5-oxaspiro[3.5]nonan-2-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 8-fluoro-2-(5-oxaspiro[3.5]nonan-2-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 8-fluoro-2-(5-oxaspiro[3.5]nonan-2-yl)-3,4-dihydro-1H-isoquinoline is Fc1cccc2c1CN(C1CC3(CCCCO3)C1)CC2.
What is the InChIKey of 8-fluoro-2-(5-oxaspiro[3.5]nonan-2-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is MZTNEMXAAIKBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c18-16-5-3-4-13-6-8-19(12-15(13)16)14-10-17(11-14)7-1-2-9-20-17/h3-5,14H,1-2,6-12H2.
What are the key properties of 8-fluoro-2-(5-oxaspiro[3.5]nonan-2-yl)-3,4-dihydro-1H-isoquinoline?
8-fluoro-2-(5-oxaspiro[3.5]nonan-2-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 275.37 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-(5-oxaspiro[3.5]nonan-2-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 174236347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).