8-fluoro-2-(8-oxaspiro[4.5]decan-3-yl)-3,4-dihydro-1H-isoquinoline

C18H24FNO — CID 174236281

IUPAC8-fluoro-2-(8-oxaspiro[4.5]decan-3-yl)-3,4-dihydro-1H-isoquinoline
SMILESFc1cccc2c1CN(C1CCC3(CCOCC3)C1)CC2
InChIInChI=1S/C18H24FNO/c19-17-3-1-2-14-5-9-20(13-16(14)17)15-4-6-18(12-15)7-10-21-11-8-18/h1-3,15H,4-13H2
InChIKeyQUBDYGHMZLTTDK-UHFFFAOYSA-N
MW289.39 g/mol
LogP3.53
Rot. Bonds1

About 8-fluoro-2-(8-oxaspiro[4.5]decan-3-yl)-3,4-dihydro-1H-isoquinoline

8-fluoro-2-(8-oxaspiro[4.5]decan-3-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 174236281) has the molecular formula C18H24FNO and a molecular weight of 289.39 g/mol. Its IUPAC name is 8-fluoro-2-(8-oxaspiro[4.5]decan-3-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name8-fluoro-2-(8-oxaspiro[4.5]decan-3-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID174236281
Molecular FormulaC18H24FNO
Molecular Weight289.39 g/mol
Exact Mass289.18
IUPAC Name8-fluoro-2-(8-oxaspiro[4.5]decan-3-yl)-3,4-dihydro-1H-isoquinoline
SMILESFc1cccc2c1CN(C1CCC3(CCOCC3)C1)CC2
InChIInChI=1S/C18H24FNO/c19-17-3-1-2-14-5-9-20(13-16(14)17)15-4-6-18(12-15)7-10-21-11-8-18/h1-3,15H,4-13H2
InChIKeyQUBDYGHMZLTTDK-UHFFFAOYSA-N
XLogP3.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-(8-oxaspiro[4.5]decan-3-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 8-fluoro-2-(8-oxaspiro[4.5]decan-3-yl)-3,4-dihydro-1H-isoquinoline (CID 174236281) is 8-fluoro-2-(8-oxaspiro[4.5]decan-3-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 8-fluoro-2-(8-oxaspiro[4.5]decan-3-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 8-fluoro-2-(8-oxaspiro[4.5]decan-3-yl)-3,4-dihydro-1H-isoquinoline is Fc1cccc2c1CN(C1CCC3(CCOCC3)C1)CC2.
What is the InChIKey of 8-fluoro-2-(8-oxaspiro[4.5]decan-3-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is QUBDYGHMZLTTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO/c19-17-3-1-2-14-5-9-20(13-16(14)17)15-4-6-18(12-15)7-10-21-11-8-18/h1-3,15H,4-13H2.
What are the key properties of 8-fluoro-2-(8-oxaspiro[4.5]decan-3-yl)-3,4-dihydro-1H-isoquinoline?
8-fluoro-2-(8-oxaspiro[4.5]decan-3-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 289.39 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-(8-oxaspiro[4.5]decan-3-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 174236281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).