8-fluoro-2-(2-oxaspiro[3.5]nonan-7-yl)-3,4-dihydro-1H-isoquinoline

C17H22FNO — CID 174236340

IUPAC8-fluoro-2-(2-oxaspiro[3.5]nonan-7-yl)-3,4-dihydro-1H-isoquinoline
SMILESFc1cccc2c1CN(C1CCC3(CC1)COC3)CC2
InChIInChI=1S/C17H22FNO/c18-16-3-1-2-13-6-9-19(10-15(13)16)14-4-7-17(8-5-14)11-20-12-17/h1-3,14H,4-12H2
InChIKeyPRQCEAWJDLCOND-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.14
Rot. Bonds1

About 8-fluoro-2-(2-oxaspiro[3.5]nonan-7-yl)-3,4-dihydro-1H-isoquinoline

8-fluoro-2-(2-oxaspiro[3.5]nonan-7-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 174236340) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is 8-fluoro-2-(2-oxaspiro[3.5]nonan-7-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name8-fluoro-2-(2-oxaspiro[3.5]nonan-7-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID174236340
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name8-fluoro-2-(2-oxaspiro[3.5]nonan-7-yl)-3,4-dihydro-1H-isoquinoline
SMILESFc1cccc2c1CN(C1CCC3(CC1)COC3)CC2
InChIInChI=1S/C17H22FNO/c18-16-3-1-2-13-6-9-19(10-15(13)16)14-4-7-17(8-5-14)11-20-12-17/h1-3,14H,4-12H2
InChIKeyPRQCEAWJDLCOND-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-fluoro-2-(2-oxaspiro[3.5]nonan-7-yl)-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

[3-(4-Fluorobenzyl)-1-(2-methylbenzyl)-3-piperidinyl]methanol
CID 45199706
(1S)-1-(4-fluorophenyl)-2-(methoxymethyl)-3,4-dihydro-1H-isoquinoline
CID 156526165
8-fluoro-2-(2-oxaspiro[3.3]heptan-7-yl)-3,4-dihydro-1H-isoquinoline
CID 174236262
8-fluoro-2-[(4R)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline
CID 174236278
8-fluoro-2-spiro[3.5]nonan-7-yl-3,4-dihydro-1H-isoquinoline
CID 174236280
8-fluoro-2-(8-oxaspiro[4.5]decan-3-yl)-3,4-dihydro-1H-isoquinoline
CID 174236281
8-fluoro-2-[(3S)-8-oxaspiro[4.5]decan-3-yl]-3,4-dihydro-1H-isoquinoline
CID 174236293
8-fluoro-2-[(3S,4R)-6-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline
CID 174236297
8-fluoro-2-[(4S)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline
CID 174236313
8-fluoro-2-[(3R,4R)-6-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline
CID 174236330
8-fluoro-2-(2-oxaspiro[3.4]octan-6-yl)-3,4-dihydro-1H-isoquinoline
CID 174236337
8-fluoro-2-[(3S,4S)-6-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline
CID 174236339

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-(2-oxaspiro[3.5]nonan-7-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 8-fluoro-2-(2-oxaspiro[3.5]nonan-7-yl)-3,4-dihydro-1H-isoquinoline (CID 174236340) is 8-fluoro-2-(2-oxaspiro[3.5]nonan-7-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 8-fluoro-2-(2-oxaspiro[3.5]nonan-7-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 8-fluoro-2-(2-oxaspiro[3.5]nonan-7-yl)-3,4-dihydro-1H-isoquinoline is Fc1cccc2c1CN(C1CCC3(CC1)COC3)CC2.
What is the InChIKey of 8-fluoro-2-(2-oxaspiro[3.5]nonan-7-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is PRQCEAWJDLCOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c18-16-3-1-2-13-6-9-19(10-15(13)16)14-4-7-17(8-5-14)11-20-12-17/h1-3,14H,4-12H2.
What are the key properties of 8-fluoro-2-(2-oxaspiro[3.5]nonan-7-yl)-3,4-dihydro-1H-isoquinoline?
8-fluoro-2-(2-oxaspiro[3.5]nonan-7-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 275.37 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-(2-oxaspiro[3.5]nonan-7-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 174236340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).