8-fluoro-2-[(4S)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline

C16H20FNO — CID 174236313

IUPAC8-fluoro-2-[(4S)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline
SMILESFc1cccc2c1CN(C1CC[C@]13CCCO3)CC2
InChIInChI=1S/C16H20FNO/c17-14-4-1-3-12-6-9-18(11-13(12)14)15-5-8-16(15)7-2-10-19-16/h1,3-4,15H,2,5-11H2/t15?,16-/m1/s1
InChIKeyVPPDHDMKZQHRLZ-OEMAIJDKSA-N
MW261.34 g/mol
LogP2.90
Rot. Bonds1

About 8-fluoro-2-[(4S)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline

8-fluoro-2-[(4S)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline (PubChem CID 174236313) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is 8-fluoro-2-[(4S)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name8-fluoro-2-[(4S)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline
PubChem CID174236313
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name8-fluoro-2-[(4S)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline
SMILESFc1cccc2c1CN(C1CC[C@]13CCCO3)CC2
InChIInChI=1S/C16H20FNO/c17-14-4-1-3-12-6-9-18(11-13(12)14)15-5-8-16(15)7-2-10-19-16/h1,3-4,15H,2,5-11H2/t15?,16-/m1/s1
InChIKeyVPPDHDMKZQHRLZ-OEMAIJDKSA-N
XLogP2.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-fluoro-2-[(4S)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

5-fluoro-1-(methoxymethyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 164042146
8-fluoro-2-[(4R)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline
CID 174236278
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
(1S,4R)-1-[(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 174236307
(8S)-2-cyclopropyl-8-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-5-oxa-2-azaspiro[3.5]nonane
CID 174236325
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
8-fluoro-2-(2-oxaspiro[3.5]nonan-7-yl)-3,4-dihydro-1H-isoquinoline
CID 174236340
8-fluoro-2-(5-oxaspiro[3.5]nonan-2-yl)-3,4-dihydro-1H-isoquinoline
CID 174236347

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-[(4S)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 8-fluoro-2-[(4S)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline (CID 174236313) is 8-fluoro-2-[(4S)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 8-fluoro-2-[(4S)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 8-fluoro-2-[(4S)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline is Fc1cccc2c1CN(C1CC[C@]13CCCO3)CC2.
What is the InChIKey of 8-fluoro-2-[(4S)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is VPPDHDMKZQHRLZ-OEMAIJDKSA-N. The full InChI is InChI=1S/C16H20FNO/c17-14-4-1-3-12-6-9-18(11-13(12)14)15-5-8-16(15)7-2-10-19-16/h1,3-4,15H,2,5-11H2/t15?,16-/m1/s1.
What are the key properties of 8-fluoro-2-[(4S)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline?
8-fluoro-2-[(4S)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 261.34 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-[(4S)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 174236313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).