6-fluoro-2-azaspiro[4.5]decan-3-one

C9H14FNO — CID 160687373

IUPAC6-fluoro-2-azaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCCCC2F)CN1
InChIInChI=1S/C9H14FNO/c10-7-3-1-2-4-9(7)5-8(12)11-6-9/h7H,1-6H2,(H,11,12)
InChIKeyMAKDTUHYABRIQV-UHFFFAOYSA-N
MW171.21 g/mol
LogP1.40
Rot. Bonds

About 6-fluoro-2-azaspiro[4.5]decan-3-one

6-fluoro-2-azaspiro[4.5]decan-3-one (PubChem CID 160687373) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is 6-fluoro-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name6-fluoro-2-azaspiro[4.5]decan-3-one
PubChem CID160687373
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Name6-fluoro-2-azaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCCCC2F)CN1
InChIInChI=1S/C9H14FNO/c10-7-3-1-2-4-9(7)5-8(12)11-6-9/h7H,1-6H2,(H,11,12)
InChIKeyMAKDTUHYABRIQV-UHFFFAOYSA-N
XLogP1.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 6-fluoro-2-azaspiro[4.5]decan-3-one (CID 160687373) is 6-fluoro-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 6-fluoro-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 6-fluoro-2-azaspiro[4.5]decan-3-one is O=C1CC2(CCCCC2F)CN1.
What is the InChIKey of 6-fluoro-2-azaspiro[4.5]decan-3-one?
The InChIKey is MAKDTUHYABRIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c10-7-3-1-2-4-9(7)5-8(12)11-6-9/h7H,1-6H2,(H,11,12).
What are the key properties of 6-fluoro-2-azaspiro[4.5]decan-3-one?
6-fluoro-2-azaspiro[4.5]decan-3-one has a molecular weight of 171.21 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 160687373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).