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

C16H20FNO — CID 174236278

IUPAC8-fluoro-2-[(4R)-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-/m0/s1
InChIKeyVPPDHDMKZQHRLZ-LYKKTTPLSA-N
MW261.34 g/mol
LogP2.90
Rot. Bonds1

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

8-fluoro-2-[(4R)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline (PubChem CID 174236278) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is 8-fluoro-2-[(4R)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name8-fluoro-2-[(4R)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline
PubChem CID174236278
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name8-fluoro-2-[(4R)-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-/m0/s1
InChIKeyVPPDHDMKZQHRLZ-LYKKTTPLSA-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

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-[(4R)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 8-fluoro-2-[(4R)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline (CID 174236278) is 8-fluoro-2-[(4R)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 8-fluoro-2-[(4R)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 8-fluoro-2-[(4R)-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-[(4R)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is VPPDHDMKZQHRLZ-LYKKTTPLSA-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-/m0/s1.
What are the key properties of 8-fluoro-2-[(4R)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline?
8-fluoro-2-[(4R)-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-[(4R)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 174236278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).