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

C18H24FN — CID 174236280

IUPAC8-fluoro-2-spiro[3.5]nonan-7-yl-3,4-dihydro-1H-isoquinoline
SMILESFc1cccc2c1CN(C1CCC3(CCC3)CC1)CC2
InChIInChI=1S/C18H24FN/c19-17-4-1-3-14-7-12-20(13-16(14)17)15-5-10-18(11-6-15)8-2-9-18/h1,3-4,15H,2,5-13H2
InChIKeyWEGIOEYKBBXJMC-UHFFFAOYSA-N
MW273.39 g/mol
LogP4.30
Rot. Bonds1

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

8-fluoro-2-spiro[3.5]nonan-7-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 174236280) has the molecular formula C18H24FN and a molecular weight of 273.39 g/mol. Its IUPAC name is 8-fluoro-2-spiro[3.5]nonan-7-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name8-fluoro-2-spiro[3.5]nonan-7-yl-3,4-dihydro-1H-isoquinoline
PubChem CID174236280
Molecular FormulaC18H24FN
Molecular Weight273.39 g/mol
Exact Mass273.19
IUPAC Name8-fluoro-2-spiro[3.5]nonan-7-yl-3,4-dihydro-1H-isoquinoline
SMILESFc1cccc2c1CN(C1CCC3(CCC3)CC1)CC2
InChIInChI=1S/C18H24FN/c19-17-4-1-3-14-7-12-20(13-16(14)17)15-5-10-18(11-6-15)8-2-9-18/h1,3-4,15H,2,5-13H2
InChIKeyWEGIOEYKBBXJMC-UHFFFAOYSA-N
XLogP4.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-spiro[3.5]nonan-7-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 8-fluoro-2-spiro[3.5]nonan-7-yl-3,4-dihydro-1H-isoquinoline (CID 174236280) is 8-fluoro-2-spiro[3.5]nonan-7-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 8-fluoro-2-spiro[3.5]nonan-7-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 8-fluoro-2-spiro[3.5]nonan-7-yl-3,4-dihydro-1H-isoquinoline is Fc1cccc2c1CN(C1CCC3(CCC3)CC1)CC2.
What is the InChIKey of 8-fluoro-2-spiro[3.5]nonan-7-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is WEGIOEYKBBXJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN/c19-17-4-1-3-14-7-12-20(13-16(14)17)15-5-10-18(11-6-15)8-2-9-18/h1,3-4,15H,2,5-13H2.
What are the key properties of 8-fluoro-2-spiro[3.5]nonan-7-yl-3,4-dihydro-1H-isoquinoline?
8-fluoro-2-spiro[3.5]nonan-7-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 273.39 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-spiro[3.5]nonan-7-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 174236280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).