5-fluorospiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one

C14H16FNO — CID 82129004

IUPAC5-fluorospiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one
SMILESO=C1NC2(CCCCC2)Cc2c(F)cccc21
InChIInChI=1S/C14H16FNO/c15-12-6-4-5-10-11(12)9-14(16-13(10)17)7-2-1-3-8-14/h4-6H,1-3,7-9H2,(H,16,17)
InChIKeyJKNFMJPZLIWAIB-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.81
Rot. Bonds

About 5-fluorospiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one

5-fluorospiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one (PubChem CID 82129004) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 5-fluorospiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one.

Molecular Properties

Compound Name5-fluorospiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one
PubChem CID82129004
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name5-fluorospiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one
SMILESO=C1NC2(CCCCC2)Cc2c(F)cccc21
InChIInChI=1S/C14H16FNO/c15-12-6-4-5-10-11(12)9-14(16-13(10)17)7-2-1-3-8-14/h4-6H,1-3,7-9H2,(H,16,17)
InChIKeyJKNFMJPZLIWAIB-UHFFFAOYSA-N
XLogP2.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluorospiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one?
The IUPAC name of 5-fluorospiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one (CID 82129004) is 5-fluorospiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one.
What is the SMILES notation for 5-fluorospiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one?
The canonical SMILES for 5-fluorospiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one is O=C1NC2(CCCCC2)Cc2c(F)cccc21.
What is the InChIKey of 5-fluorospiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one?
The InChIKey is JKNFMJPZLIWAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c15-12-6-4-5-10-11(12)9-14(16-13(10)17)7-2-1-3-8-14/h4-6H,1-3,7-9H2,(H,16,17).
What are the key properties of 5-fluorospiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one?
5-fluorospiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one has a molecular weight of 233.29 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorospiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one is sourced from PubChem (CID 82129004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).