6,6-difluoro-2-azaspiro[4.5]decan-1-one

C9H13F2NO — CID 155351413

IUPAC6,6-difluoro-2-azaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCCCC2(F)F
InChIInChI=1S/C9H13F2NO/c10-9(11)4-2-1-3-8(9)5-6-12-7(8)13/h1-6H2,(H,12,13)
InChIKeyKWYODRGJXDQAHS-UHFFFAOYSA-N
MW189.20 g/mol
LogP1.70
Rot. Bonds

About 6,6-difluoro-2-azaspiro[4.5]decan-1-one

6,6-difluoro-2-azaspiro[4.5]decan-1-one (PubChem CID 155351413) has the molecular formula C9H13F2NO and a molecular weight of 189.20 g/mol. Its IUPAC name is 6,6-difluoro-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name6,6-difluoro-2-azaspiro[4.5]decan-1-one
PubChem CID155351413
Molecular FormulaC9H13F2NO
Molecular Weight189.20 g/mol
Exact Mass189.10
IUPAC Name6,6-difluoro-2-azaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCCCC2(F)F
InChIInChI=1S/C9H13F2NO/c10-9(11)4-2-1-3-8(9)5-6-12-7(8)13/h1-6H2,(H,12,13)
InChIKeyKWYODRGJXDQAHS-UHFFFAOYSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 6,6-difluoro-2-azaspiro[4.5]decan-1-one (CID 155351413) is 6,6-difluoro-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 6,6-difluoro-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 6,6-difluoro-2-azaspiro[4.5]decan-1-one is O=C1NCCC12CCCCC2(F)F.
What is the InChIKey of 6,6-difluoro-2-azaspiro[4.5]decan-1-one?
The InChIKey is KWYODRGJXDQAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO/c10-9(11)4-2-1-3-8(9)5-6-12-7(8)13/h1-6H2,(H,12,13).
What are the key properties of 6,6-difluoro-2-azaspiro[4.5]decan-1-one?
6,6-difluoro-2-azaspiro[4.5]decan-1-one has a molecular weight of 189.20 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 155351413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).