8,8-difluoro-2-azaspiro[4.5]decan-3-one

C9H13F2NO — CID 127018345

IUPAC8,8-difluoro-2-azaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCC(F)(F)CC2)CN1
InChIInChI=1S/C9H13F2NO/c10-9(11)3-1-8(2-4-9)5-7(13)12-6-8/h1-6H2,(H,12,13)
InChIKeyKZFWNSLRJWOZJY-UHFFFAOYSA-N
MW189.20 g/mol
LogP1.70
Rot. Bonds

About 8,8-difluoro-2-azaspiro[4.5]decan-3-one

8,8-difluoro-2-azaspiro[4.5]decan-3-one (PubChem CID 127018345) has the molecular formula C9H13F2NO and a molecular weight of 189.20 g/mol. Its IUPAC name is 8,8-difluoro-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8,8-difluoro-2-azaspiro[4.5]decan-3-one
PubChem CID127018345
Molecular FormulaC9H13F2NO
Molecular Weight189.20 g/mol
Exact Mass189.10
IUPAC Name8,8-difluoro-2-azaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCC(F)(F)CC2)CN1
InChIInChI=1S/C9H13F2NO/c10-9(11)3-1-8(2-4-9)5-7(13)12-6-8/h1-6H2,(H,12,13)
InChIKeyKZFWNSLRJWOZJY-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 8,8-difluoro-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 8,8-difluoro-2-azaspiro[4.5]decan-3-one (CID 127018345) is 8,8-difluoro-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 8,8-difluoro-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 8,8-difluoro-2-azaspiro[4.5]decan-3-one is O=C1CC2(CCC(F)(F)CC2)CN1.
What is the InChIKey of 8,8-difluoro-2-azaspiro[4.5]decan-3-one?
The InChIKey is KZFWNSLRJWOZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO/c10-9(11)3-1-8(2-4-9)5-7(13)12-6-8/h1-6H2,(H,12,13).
What are the key properties of 8,8-difluoro-2-azaspiro[4.5]decan-3-one?
8,8-difluoro-2-azaspiro[4.5]decan-3-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 8,8-difluoro-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 127018345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).