8,8-difluoro-1-azaspiro[4.5]decane-2-carboxylic acid

C10H15F2NO2 — CID 170897644

IUPAC8,8-difluoro-1-azaspiro[4.5]decane-2-carboxylic acid
SMILESO=C(O)C1CCC2(CCC(F)(F)CC2)N1
InChIInChI=1S/C10H15F2NO2/c11-10(12)5-3-9(4-6-10)2-1-7(13-9)8(14)15/h7,13H,1-6H2,(H,14,15)
InChIKeyBSVMIEVZAKKZLF-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.77
Rot. Bonds1

About 8,8-difluoro-1-azaspiro[4.5]decane-2-carboxylic acid

8,8-difluoro-1-azaspiro[4.5]decane-2-carboxylic acid (PubChem CID 170897644) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is 8,8-difluoro-1-azaspiro[4.5]decane-2-carboxylic acid.

Molecular Properties

Compound Name8,8-difluoro-1-azaspiro[4.5]decane-2-carboxylic acid
PubChem CID170897644
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Name8,8-difluoro-1-azaspiro[4.5]decane-2-carboxylic acid
SMILESO=C(O)C1CCC2(CCC(F)(F)CC2)N1
InChIInChI=1S/C10H15F2NO2/c11-10(12)5-3-9(4-6-10)2-1-7(13-9)8(14)15/h7,13H,1-6H2,(H,14,15)
InChIKeyBSVMIEVZAKKZLF-UHFFFAOYSA-N
XLogP1.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-1-azaspiro[4.5]decane-2-carboxylic acid?
The IUPAC name of 8,8-difluoro-1-azaspiro[4.5]decane-2-carboxylic acid (CID 170897644) is 8,8-difluoro-1-azaspiro[4.5]decane-2-carboxylic acid.
What is the SMILES notation for 8,8-difluoro-1-azaspiro[4.5]decane-2-carboxylic acid?
The canonical SMILES for 8,8-difluoro-1-azaspiro[4.5]decane-2-carboxylic acid is O=C(O)C1CCC2(CCC(F)(F)CC2)N1.
What is the InChIKey of 8,8-difluoro-1-azaspiro[4.5]decane-2-carboxylic acid?
The InChIKey is BSVMIEVZAKKZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c11-10(12)5-3-9(4-6-10)2-1-7(13-9)8(14)15/h7,13H,1-6H2,(H,14,15).
What are the key properties of 8,8-difluoro-1-azaspiro[4.5]decane-2-carboxylic acid?
8,8-difluoro-1-azaspiro[4.5]decane-2-carboxylic acid has a molecular weight of 219.23 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-1-azaspiro[4.5]decane-2-carboxylic acid is sourced from PubChem (CID 170897644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).