8,8-difluoro-3-methoxy-2-azaspiro[4.5]decane-2-carboxylic acid

C11H17F2NO3 — CID 175780727

IUPAC8,8-difluoro-3-methoxy-2-azaspiro[4.5]decane-2-carboxylic acid
SMILESCOC1CC2(CCC(F)(F)CC2)CN1C(=O)O
InChIInChI=1S/C11H17F2NO3/c1-17-8-6-10(7-14(8)9(15)16)2-4-11(12,13)5-3-10/h8H,2-7H2,1H3,(H,15,16)
InChIKeyWCFFJIFRIZAXOV-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.54
Rot. Bonds1

About 8,8-difluoro-3-methoxy-2-azaspiro[4.5]decane-2-carboxylic acid

8,8-difluoro-3-methoxy-2-azaspiro[4.5]decane-2-carboxylic acid (PubChem CID 175780727) has the molecular formula C11H17F2NO3 and a molecular weight of 249.26 g/mol. Its IUPAC name is 8,8-difluoro-3-methoxy-2-azaspiro[4.5]decane-2-carboxylic acid.

Molecular Properties

Compound Name8,8-difluoro-3-methoxy-2-azaspiro[4.5]decane-2-carboxylic acid
PubChem CID175780727
Molecular FormulaC11H17F2NO3
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC Name8,8-difluoro-3-methoxy-2-azaspiro[4.5]decane-2-carboxylic acid
SMILESCOC1CC2(CCC(F)(F)CC2)CN1C(=O)O
InChIInChI=1S/C11H17F2NO3/c1-17-8-6-10(7-14(8)9(15)16)2-4-11(12,13)5-3-10/h8H,2-7H2,1H3,(H,15,16)
InChIKeyWCFFJIFRIZAXOV-UHFFFAOYSA-N
XLogP2.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-3-methoxy-2-azaspiro[4.5]decane-2-carboxylic acid?
The IUPAC name of 8,8-difluoro-3-methoxy-2-azaspiro[4.5]decane-2-carboxylic acid (CID 175780727) is 8,8-difluoro-3-methoxy-2-azaspiro[4.5]decane-2-carboxylic acid.
What is the SMILES notation for 8,8-difluoro-3-methoxy-2-azaspiro[4.5]decane-2-carboxylic acid?
The canonical SMILES for 8,8-difluoro-3-methoxy-2-azaspiro[4.5]decane-2-carboxylic acid is COC1CC2(CCC(F)(F)CC2)CN1C(=O)O.
What is the InChIKey of 8,8-difluoro-3-methoxy-2-azaspiro[4.5]decane-2-carboxylic acid?
The InChIKey is WCFFJIFRIZAXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO3/c1-17-8-6-10(7-14(8)9(15)16)2-4-11(12,13)5-3-10/h8H,2-7H2,1H3,(H,15,16).
What are the key properties of 8,8-difluoro-3-methoxy-2-azaspiro[4.5]decane-2-carboxylic acid?
8,8-difluoro-3-methoxy-2-azaspiro[4.5]decane-2-carboxylic acid has a molecular weight of 249.26 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-3-methoxy-2-azaspiro[4.5]decane-2-carboxylic acid is sourced from PubChem (CID 175780727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).