8-fluoro-2-(2-oxaspiro[3.3]heptan-7-yl)-3,4-dihydro-1H-isoquinoline

C15H18FNO — CID 174236262

IUPAC8-fluoro-2-(2-oxaspiro[3.3]heptan-7-yl)-3,4-dihydro-1H-isoquinoline
SMILESFc1cccc2c1CN(C1CCC13COC3)CC2
InChIInChI=1S/C15H18FNO/c16-13-3-1-2-11-5-7-17(8-12(11)13)14-4-6-15(14)9-18-10-15/h1-3,14H,4-10H2
InChIKeyLOETXQOTUHTXFC-UHFFFAOYSA-N
MW247.31 g/mol
LogP2.36
Rot. Bonds1

About 8-fluoro-2-(2-oxaspiro[3.3]heptan-7-yl)-3,4-dihydro-1H-isoquinoline

8-fluoro-2-(2-oxaspiro[3.3]heptan-7-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 174236262) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 8-fluoro-2-(2-oxaspiro[3.3]heptan-7-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name8-fluoro-2-(2-oxaspiro[3.3]heptan-7-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID174236262
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name8-fluoro-2-(2-oxaspiro[3.3]heptan-7-yl)-3,4-dihydro-1H-isoquinoline
SMILESFc1cccc2c1CN(C1CCC13COC3)CC2
InChIInChI=1S/C15H18FNO/c16-13-3-1-2-11-5-7-17(8-12(11)13)14-4-6-15(14)9-18-10-15/h1-3,14H,4-10H2
InChIKeyLOETXQOTUHTXFC-UHFFFAOYSA-N
XLogP2.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-(2-oxaspiro[3.3]heptan-7-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 8-fluoro-2-(2-oxaspiro[3.3]heptan-7-yl)-3,4-dihydro-1H-isoquinoline (CID 174236262) is 8-fluoro-2-(2-oxaspiro[3.3]heptan-7-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 8-fluoro-2-(2-oxaspiro[3.3]heptan-7-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 8-fluoro-2-(2-oxaspiro[3.3]heptan-7-yl)-3,4-dihydro-1H-isoquinoline is Fc1cccc2c1CN(C1CCC13COC3)CC2.
What is the InChIKey of 8-fluoro-2-(2-oxaspiro[3.3]heptan-7-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is LOETXQOTUHTXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c16-13-3-1-2-11-5-7-17(8-12(11)13)14-4-6-15(14)9-18-10-15/h1-3,14H,4-10H2.
What are the key properties of 8-fluoro-2-(2-oxaspiro[3.3]heptan-7-yl)-3,4-dihydro-1H-isoquinoline?
8-fluoro-2-(2-oxaspiro[3.3]heptan-7-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 247.31 g/mol, XLogP of 2.36, 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[3.3]heptan-7-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 174236262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).