8-fluoro-2,6-diazaspiro[4.5]decan-1-one

C8H13FN2O — CID 105435088

IUPAC8-fluoro-2,6-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCC(F)CN2
InChIInChI=1S/C8H13FN2O/c9-6-1-2-8(11-5-6)3-4-10-7(8)12/h6,11H,1-5H2,(H,10,12)
InChIKeyIOQSQDCFTSMEDO-UHFFFAOYSA-N
MW172.20 g/mol
LogP-0.03
Rot. Bonds

About 8-fluoro-2,6-diazaspiro[4.5]decan-1-one

8-fluoro-2,6-diazaspiro[4.5]decan-1-one (PubChem CID 105435088) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is 8-fluoro-2,6-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-fluoro-2,6-diazaspiro[4.5]decan-1-one
PubChem CID105435088
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name8-fluoro-2,6-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCC(F)CN2
InChIInChI=1S/C8H13FN2O/c9-6-1-2-8(11-5-6)3-4-10-7(8)12/h6,11H,1-5H2,(H,10,12)
InChIKeyIOQSQDCFTSMEDO-UHFFFAOYSA-N
XLogP-0.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2,6-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-fluoro-2,6-diazaspiro[4.5]decan-1-one (CID 105435088) is 8-fluoro-2,6-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-fluoro-2,6-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-fluoro-2,6-diazaspiro[4.5]decan-1-one is O=C1NCCC12CCC(F)CN2.
What is the InChIKey of 8-fluoro-2,6-diazaspiro[4.5]decan-1-one?
The InChIKey is IOQSQDCFTSMEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c9-6-1-2-8(11-5-6)3-4-10-7(8)12/h6,11H,1-5H2,(H,10,12).
What are the key properties of 8-fluoro-2,6-diazaspiro[4.5]decan-1-one?
8-fluoro-2,6-diazaspiro[4.5]decan-1-one has a molecular weight of 172.20 g/mol, XLogP of -0.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2,6-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 105435088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).