2,2-difluoro-6-azaspiro[3.4]octan-5-one

C7H9F2NO — CID 155351519

IUPAC2,2-difluoro-6-azaspiro[3.4]octan-5-one
SMILESO=C1NCCC12CC(F)(F)C2
InChIInChI=1S/C7H9F2NO/c8-7(9)3-6(4-7)1-2-10-5(6)11/h1-4H2,(H,10,11)
InChIKeyHPDKYLCLTPCUQZ-UHFFFAOYSA-N
MW161.15 g/mol
LogP0.92
Rot. Bonds

About 2,2-difluoro-6-azaspiro[3.4]octan-5-one

2,2-difluoro-6-azaspiro[3.4]octan-5-one (PubChem CID 155351519) has the molecular formula C7H9F2NO and a molecular weight of 161.15 g/mol. Its IUPAC name is 2,2-difluoro-6-azaspiro[3.4]octan-5-one.

Molecular Properties

Compound Name2,2-difluoro-6-azaspiro[3.4]octan-5-one
PubChem CID155351519
Molecular FormulaC7H9F2NO
Molecular Weight161.15 g/mol
Exact Mass161.07
IUPAC Name2,2-difluoro-6-azaspiro[3.4]octan-5-one
SMILESO=C1NCCC12CC(F)(F)C2
InChIInChI=1S/C7H9F2NO/c8-7(9)3-6(4-7)1-2-10-5(6)11/h1-4H2,(H,10,11)
InChIKeyHPDKYLCLTPCUQZ-UHFFFAOYSA-N
XLogP0.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.15
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6-azaspiro[3.4]octan-5-one?
The IUPAC name of 2,2-difluoro-6-azaspiro[3.4]octan-5-one (CID 155351519) is 2,2-difluoro-6-azaspiro[3.4]octan-5-one.
What is the SMILES notation for 2,2-difluoro-6-azaspiro[3.4]octan-5-one?
The canonical SMILES for 2,2-difluoro-6-azaspiro[3.4]octan-5-one is O=C1NCCC12CC(F)(F)C2.
What is the InChIKey of 2,2-difluoro-6-azaspiro[3.4]octan-5-one?
The InChIKey is HPDKYLCLTPCUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO/c8-7(9)3-6(4-7)1-2-10-5(6)11/h1-4H2,(H,10,11).
What are the key properties of 2,2-difluoro-6-azaspiro[3.4]octan-5-one?
2,2-difluoro-6-azaspiro[3.4]octan-5-one has a molecular weight of 161.15 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-azaspiro[3.4]octan-5-one is sourced from PubChem (CID 155351519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).