8-(2,2-difluoro-3-hydroxypropyl)-8-azaspiro[4.5]decane-7,9-dione

C12H17F2NO3 — CID 114153726

IUPAC8-(2,2-difluoro-3-hydroxypropyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CC(F)(F)CO
InChIInChI=1S/C12H17F2NO3/c13-12(14,8-16)7-15-9(17)5-11(6-10(15)18)3-1-2-4-11/h16H,1-8H2
InChIKeyUAGSZXRDAWGKIL-UHFFFAOYSA-N
MW261.27 g/mol
LogP1.32
Rot. Bonds3

About 8-(2,2-difluoro-3-hydroxypropyl)-8-azaspiro[4.5]decane-7,9-dione

8-(2,2-difluoro-3-hydroxypropyl)-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 114153726) has the molecular formula C12H17F2NO3 and a molecular weight of 261.27 g/mol. Its IUPAC name is 8-(2,2-difluoro-3-hydroxypropyl)-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-(2,2-difluoro-3-hydroxypropyl)-8-azaspiro[4.5]decane-7,9-dione
PubChem CID114153726
Molecular FormulaC12H17F2NO3
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name8-(2,2-difluoro-3-hydroxypropyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CC(F)(F)CO
InChIInChI=1S/C12H17F2NO3/c13-12(14,8-16)7-15-9(17)5-11(6-10(15)18)3-1-2-4-11/h16H,1-8H2
InChIKeyUAGSZXRDAWGKIL-UHFFFAOYSA-N
XLogP1.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2,2-difluoro-3-hydroxypropyl)-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-(2,2-difluoro-3-hydroxypropyl)-8-azaspiro[4.5]decane-7,9-dione (CID 114153726) is 8-(2,2-difluoro-3-hydroxypropyl)-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-(2,2-difluoro-3-hydroxypropyl)-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-(2,2-difluoro-3-hydroxypropyl)-8-azaspiro[4.5]decane-7,9-dione is O=C1CC2(CCCC2)CC(=O)N1CC(F)(F)CO.
What is the InChIKey of 8-(2,2-difluoro-3-hydroxypropyl)-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is UAGSZXRDAWGKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO3/c13-12(14,8-16)7-15-9(17)5-11(6-10(15)18)3-1-2-4-11/h16H,1-8H2.
What are the key properties of 8-(2,2-difluoro-3-hydroxypropyl)-8-azaspiro[4.5]decane-7,9-dione?
8-(2,2-difluoro-3-hydroxypropyl)-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 261.27 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-difluoro-3-hydroxypropyl)-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 114153726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).