8-(3-amino-2,2-difluoropropyl)-8-azaspiro[4.5]decane-7,9-dione

C12H18F2N2O2 — CID 114384559

IUPAC8-(3-amino-2,2-difluoropropyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESNCC(F)(F)CN1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C12H18F2N2O2/c13-12(14,7-15)8-16-9(17)5-11(6-10(16)18)3-1-2-4-11/h1-8,15H2
InChIKeyORBQGTDGIKXHQB-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.29
Rot. Bonds3

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

8-(3-amino-2,2-difluoropropyl)-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 114384559) has the molecular formula C12H18F2N2O2 and a molecular weight of 260.28 g/mol. Its IUPAC name is 8-(3-amino-2,2-difluoropropyl)-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-(3-amino-2,2-difluoropropyl)-8-azaspiro[4.5]decane-7,9-dione
PubChem CID114384559
Molecular FormulaC12H18F2N2O2
Molecular Weight260.28 g/mol
Exact Mass260.13
IUPAC Name8-(3-amino-2,2-difluoropropyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESNCC(F)(F)CN1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C12H18F2N2O2/c13-12(14,7-15)8-16-9(17)5-11(6-10(16)18)3-1-2-4-11/h1-8,15H2
InChIKeyORBQGTDGIKXHQB-UHFFFAOYSA-N
XLogP1.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.29
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-(3-amino-2,2-difluoropropyl)-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-(3-amino-2,2-difluoropropyl)-8-azaspiro[4.5]decane-7,9-dione (CID 114384559) is 8-(3-amino-2,2-difluoropropyl)-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-(3-amino-2,2-difluoropropyl)-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-(3-amino-2,2-difluoropropyl)-8-azaspiro[4.5]decane-7,9-dione is NCC(F)(F)CN1C(=O)CC2(CCCC2)CC1=O.
What is the InChIKey of 8-(3-amino-2,2-difluoropropyl)-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is ORBQGTDGIKXHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2/c13-12(14,7-15)8-16-9(17)5-11(6-10(16)18)3-1-2-4-11/h1-8,15H2.
What are the key properties of 8-(3-amino-2,2-difluoropropyl)-8-azaspiro[4.5]decane-7,9-dione?
8-(3-amino-2,2-difluoropropyl)-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 260.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-amino-2,2-difluoropropyl)-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 114384559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).