bis(8,8-difluoro-2-azaspiro[4.5]decane);oxalic acid

C20H32F4N2O4 — CID 127263576

IUPACbis(8,8-difluoro-2-azaspiro[4.5]decane);oxalic acid
SMILESFC1(F)CCC2(CCNC2)CC1.FC1(F)CCC2(CCNC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/2C9H15F2N.C2H2O4/c2*10-9(11)3-1-8(2-4-9)5-6-12-7-8;3-1(4)2(5)6/h2*12H,1-7H2;(H,3,4)(H,5,6)
InChIKeyWRUOGZKSNRKCGA-UHFFFAOYSA-N
MW440.48 g/mol
LogP3.51
Rot. Bonds

About bis(8,8-difluoro-2-azaspiro[4.5]decane);oxalic acid

bis(8,8-difluoro-2-azaspiro[4.5]decane);oxalic acid (PubChem CID 127263576) has the molecular formula C20H32F4N2O4 and a molecular weight of 440.48 g/mol. Its IUPAC name is bis(8,8-difluoro-2-azaspiro[4.5]decane);oxalic acid.

Molecular Properties

Compound Namebis(8,8-difluoro-2-azaspiro[4.5]decane);oxalic acid
PubChem CID127263576
Molecular FormulaC20H32F4N2O4
Molecular Weight440.48 g/mol
Exact Mass440.23
IUPAC Namebis(8,8-difluoro-2-azaspiro[4.5]decane);oxalic acid
SMILESFC1(F)CCC2(CCNC2)CC1.FC1(F)CCC2(CCNC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/2C9H15F2N.C2H2O4/c2*10-9(11)3-1-8(2-4-9)5-6-12-7-8;3-1(4)2(5)6/h2*12H,1-7H2;(H,3,4)(H,5,6)
InChIKeyWRUOGZKSNRKCGA-UHFFFAOYSA-N
XLogP3.51
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 53.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide);oxalic acid
CID 112758336
bis(8-oxa-2-azaspiro[4.5]decane);oxalic acid
CID 90645632
6-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 90185681
2,8-diazaspiro[4.5]decane;ethane
CID 143048064
2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 175831728
2-oxa-7-azaspiro[4.4]nonane;oxalic acid
CID 171322884
2,7-diazaspiro[3.4]octane;ethane
CID 143687523
2,7-diazaspiro[3.4]octane;ethane
CID 171068778
2-azaspiro[3.3]heptane;5-azaspiro[2.4]heptane
CID 170601553
bis(8,11-dioxa-3-azadispiro[4.1.47.35]tetradecane);oxalic acid
CID 127263574
(5R,8R)-2-azaspiro[4.4]nonane-8-carboxylic acid
CID 96850483
2-azaspiro[4.5]decane;ethene
CID 171834081

Frequently Asked Questions

What is the IUPAC name of bis(8,8-difluoro-2-azaspiro[4.5]decane);oxalic acid?
The IUPAC name of bis(8,8-difluoro-2-azaspiro[4.5]decane);oxalic acid (CID 127263576) is bis(8,8-difluoro-2-azaspiro[4.5]decane);oxalic acid.
What is the SMILES notation for bis(8,8-difluoro-2-azaspiro[4.5]decane);oxalic acid?
The canonical SMILES for bis(8,8-difluoro-2-azaspiro[4.5]decane);oxalic acid is FC1(F)CCC2(CCNC2)CC1.FC1(F)CCC2(CCNC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of bis(8,8-difluoro-2-azaspiro[4.5]decane);oxalic acid?
The InChIKey is WRUOGZKSNRKCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H15F2N.C2H2O4/c2*10-9(11)3-1-8(2-4-9)5-6-12-7-8;3-1(4)2(5)6/h2*12H,1-7H2;(H,3,4)(H,5,6).
What are the key properties of bis(8,8-difluoro-2-azaspiro[4.5]decane);oxalic acid?
bis(8,8-difluoro-2-azaspiro[4.5]decane);oxalic acid has a molecular weight of 440.48 g/mol, XLogP of 3.51, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(8,8-difluoro-2-azaspiro[4.5]decane);oxalic acid is sourced from PubChem (CID 127263576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).