6-azaspiro[3.4]octan-6-yl-(2-fluoro-6-hydroxyphenyl)methanone

C14H16FNO2 — CID 99625876

IUPAC6-azaspiro[3.4]octan-6-yl-(2-fluoro-6-hydroxyphenyl)methanone
SMILESO=C(c1c(O)cccc1F)N1CCC2(CCC2)C1
InChIInChI=1S/C14H16FNO2/c15-10-3-1-4-11(17)12(10)13(18)16-8-7-14(9-16)5-2-6-14/h1,3-4,17H,2,5-9H2
InChIKeyJUHMKPPSAXZKLV-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.55
Rot. Bonds1

About 6-azaspiro[3.4]octan-6-yl-(2-fluoro-6-hydroxyphenyl)methanone

6-azaspiro[3.4]octan-6-yl-(2-fluoro-6-hydroxyphenyl)methanone (PubChem CID 99625876) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 6-azaspiro[3.4]octan-6-yl-(2-fluoro-6-hydroxyphenyl)methanone.

Molecular Properties

Compound Name6-azaspiro[3.4]octan-6-yl-(2-fluoro-6-hydroxyphenyl)methanone
PubChem CID99625876
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name6-azaspiro[3.4]octan-6-yl-(2-fluoro-6-hydroxyphenyl)methanone
SMILESO=C(c1c(O)cccc1F)N1CCC2(CCC2)C1
InChIInChI=1S/C14H16FNO2/c15-10-3-1-4-11(17)12(10)13(18)16-8-7-14(9-16)5-2-6-14/h1,3-4,17H,2,5-9H2
InChIKeyJUHMKPPSAXZKLV-UHFFFAOYSA-N
XLogP2.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[3.4]octan-6-yl-(2-fluoro-6-hydroxyphenyl)methanone?
The IUPAC name of 6-azaspiro[3.4]octan-6-yl-(2-fluoro-6-hydroxyphenyl)methanone (CID 99625876) is 6-azaspiro[3.4]octan-6-yl-(2-fluoro-6-hydroxyphenyl)methanone.
What is the SMILES notation for 6-azaspiro[3.4]octan-6-yl-(2-fluoro-6-hydroxyphenyl)methanone?
The canonical SMILES for 6-azaspiro[3.4]octan-6-yl-(2-fluoro-6-hydroxyphenyl)methanone is O=C(c1c(O)cccc1F)N1CCC2(CCC2)C1.
What is the InChIKey of 6-azaspiro[3.4]octan-6-yl-(2-fluoro-6-hydroxyphenyl)methanone?
The InChIKey is JUHMKPPSAXZKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c15-10-3-1-4-11(17)12(10)13(18)16-8-7-14(9-16)5-2-6-14/h1,3-4,17H,2,5-9H2.
What are the key properties of 6-azaspiro[3.4]octan-6-yl-(2-fluoro-6-hydroxyphenyl)methanone?
6-azaspiro[3.4]octan-6-yl-(2-fluoro-6-hydroxyphenyl)methanone has a molecular weight of 249.28 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[3.4]octan-6-yl-(2-fluoro-6-hydroxyphenyl)methanone is sourced from PubChem (CID 99625876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).