7,7-difluoro-2-azaspiro[4.5]decan-1-one

C9H13F2NO — CID 77484854

IUPAC7,7-difluoro-2-azaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCCC(F)(F)C2
InChIInChI=1S/C9H13F2NO/c10-9(11)3-1-2-8(6-9)4-5-12-7(8)13/h1-6H2,(H,12,13)
InChIKeyYDVRQCZOKPCZOH-UHFFFAOYSA-N
MW189.20 g/mol
LogP1.70
Rot. Bonds

About 7,7-difluoro-2-azaspiro[4.5]decan-1-one

7,7-difluoro-2-azaspiro[4.5]decan-1-one (PubChem CID 77484854) has the molecular formula C9H13F2NO and a molecular weight of 189.20 g/mol. Its IUPAC name is 7,7-difluoro-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name7,7-difluoro-2-azaspiro[4.5]decan-1-one
PubChem CID77484854
Molecular FormulaC9H13F2NO
Molecular Weight189.20 g/mol
Exact Mass189.10
IUPAC Name7,7-difluoro-2-azaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCCC(F)(F)C2
InChIInChI=1S/C9H13F2NO/c10-9(11)3-1-2-8(6-9)4-5-12-7(8)13/h1-6H2,(H,12,13)
InChIKeyYDVRQCZOKPCZOH-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

Analyze 7,7-difluoro-2-azaspiro[4.5]decan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 7,7-difluoro-2-azaspiro[4.5]decan-1-one (CID 77484854) is 7,7-difluoro-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 7,7-difluoro-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 7,7-difluoro-2-azaspiro[4.5]decan-1-one is O=C1NCCC12CCCC(F)(F)C2.
What is the InChIKey of 7,7-difluoro-2-azaspiro[4.5]decan-1-one?
The InChIKey is YDVRQCZOKPCZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO/c10-9(11)3-1-2-8(6-9)4-5-12-7(8)13/h1-6H2,(H,12,13).
What are the key properties of 7,7-difluoro-2-azaspiro[4.5]decan-1-one?
7,7-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 7,7-difluoro-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 77484854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).