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

C18H24FNO — CID 174236293

IUPAC8-fluoro-2-[(3S)-8-oxaspiro[4.5]decan-3-yl]-3,4-dihydro-1H-isoquinoline
SMILESFc1cccc2c1CN([C@H]1CCC3(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/t15-/m0/s1
InChIKeyQUBDYGHMZLTTDK-HNNXBMFYSA-N
MW289.39 g/mol
LogP3.53
Rot. Bonds1

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

8-fluoro-2-[(3S)-8-oxaspiro[4.5]decan-3-yl]-3,4-dihydro-1H-isoquinoline (PubChem CID 174236293) has the molecular formula C18H24FNO and a molecular weight of 289.39 g/mol. Its IUPAC name is 8-fluoro-2-[(3S)-8-oxaspiro[4.5]decan-3-yl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name8-fluoro-2-[(3S)-8-oxaspiro[4.5]decan-3-yl]-3,4-dihydro-1H-isoquinoline
PubChem CID174236293
Molecular FormulaC18H24FNO
Molecular Weight289.39 g/mol
Exact Mass289.18
IUPAC Name8-fluoro-2-[(3S)-8-oxaspiro[4.5]decan-3-yl]-3,4-dihydro-1H-isoquinoline
SMILESFc1cccc2c1CN([C@H]1CCC3(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/t15-/m0/s1
InChIKeyQUBDYGHMZLTTDK-HNNXBMFYSA-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

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

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Related Compounds

8-fluoro-N-hydroxy-2-[(6S)-2-oxaspiro[3.4]octan-6-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 164867950
2-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524173
2-(2,2-dimethyloxan-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522652
8-fluoro-N-hydroxy-2-[(8S)-spiro[3.5]nonan-8-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 171594598
2-(2-cyclopropyl-2-azaspiro[3.5]nonan-7-yl)-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 164868826
8-fluoro-3,4-dihydro-1H-isochromene;N-methylmethanamine
CID 142279514
8-fluoro-2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 174236267
4-(8-methyl-8-azaspiro[4.5]decan-3-yl)morpholine
CID 170120812
8-fluoro-N-hydroxy-2-(2-methyl-2-azaspiro[3.5]nonan-7-yl)-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 164868132
5-fluoro-2-[1-[(4-fluorophenyl)methyl]azetidin-3-yl]-3,4-dihydro-1H-isoquinoline
CID 164880651
2-[4-(trifluoromethyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522338
2-[(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]thiolane 1,1-dioxide
CID 154764633

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-[(3S)-8-oxaspiro[4.5]decan-3-yl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 8-fluoro-2-[(3S)-8-oxaspiro[4.5]decan-3-yl]-3,4-dihydro-1H-isoquinoline (CID 174236293) is 8-fluoro-2-[(3S)-8-oxaspiro[4.5]decan-3-yl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 8-fluoro-2-[(3S)-8-oxaspiro[4.5]decan-3-yl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 8-fluoro-2-[(3S)-8-oxaspiro[4.5]decan-3-yl]-3,4-dihydro-1H-isoquinoline is Fc1cccc2c1CN([C@H]1CCC3(CCOCC3)C1)CC2.
What is the InChIKey of 8-fluoro-2-[(3S)-8-oxaspiro[4.5]decan-3-yl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is QUBDYGHMZLTTDK-HNNXBMFYSA-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/t15-/m0/s1.
What are the key properties of 8-fluoro-2-[(3S)-8-oxaspiro[4.5]decan-3-yl]-3,4-dihydro-1H-isoquinoline?
8-fluoro-2-[(3S)-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-[(3S)-8-oxaspiro[4.5]decan-3-yl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 174236293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).