3-fluoro-8-azaspiro[4.5]decan-4-one

C9H14FNO — CID 123737317

IUPAC3-fluoro-8-azaspiro[4.5]decan-4-one
SMILESO=C1C(F)CCC12CCNCC2
InChIInChI=1S/C9H14FNO/c10-7-1-2-9(8(7)12)3-5-11-6-4-9/h7,11H,1-6H2
InChIKeyIDPLOHZOGXVTLW-UHFFFAOYSA-N
MW171.21 g/mol
LogP1.06
Rot. Bonds

About 3-fluoro-8-azaspiro[4.5]decan-4-one

3-fluoro-8-azaspiro[4.5]decan-4-one (PubChem CID 123737317) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is 3-fluoro-8-azaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name3-fluoro-8-azaspiro[4.5]decan-4-one
PubChem CID123737317
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Name3-fluoro-8-azaspiro[4.5]decan-4-one
SMILESO=C1C(F)CCC12CCNCC2
InChIInChI=1S/C9H14FNO/c10-7-1-2-9(8(7)12)3-5-11-6-4-9/h7,11H,1-6H2
InChIKeyIDPLOHZOGXVTLW-UHFFFAOYSA-N
XLogP1.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-8-azaspiro[4.5]decan-4-one?
The IUPAC name of 3-fluoro-8-azaspiro[4.5]decan-4-one (CID 123737317) is 3-fluoro-8-azaspiro[4.5]decan-4-one.
What is the SMILES notation for 3-fluoro-8-azaspiro[4.5]decan-4-one?
The canonical SMILES for 3-fluoro-8-azaspiro[4.5]decan-4-one is O=C1C(F)CCC12CCNCC2.
What is the InChIKey of 3-fluoro-8-azaspiro[4.5]decan-4-one?
The InChIKey is IDPLOHZOGXVTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c10-7-1-2-9(8(7)12)3-5-11-6-4-9/h7,11H,1-6H2.
What are the key properties of 3-fluoro-8-azaspiro[4.5]decan-4-one?
3-fluoro-8-azaspiro[4.5]decan-4-one has a molecular weight of 171.21 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-8-azaspiro[4.5]decan-4-one is sourced from PubChem (CID 123737317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).