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

C10H15F2NO3 — CID 175780761

IUPAC8,8-difluoro-3-hydroxy-2-azaspiro[4.5]decane-2-carboxylic acid
SMILESO=C(O)N1CC2(CCC(F)(F)CC2)CC1O
InChIInChI=1S/C10H15F2NO3/c11-10(12)3-1-9(2-4-10)5-7(14)13(6-9)8(15)16/h7,14H,1-6H2,(H,15,16)
InChIKeyMQMVXJIKFDYLST-UHFFFAOYSA-N
MW235.23 g/mol
LogP1.88
Rot. Bonds

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

8,8-difluoro-3-hydroxy-2-azaspiro[4.5]decane-2-carboxylic acid (PubChem CID 175780761) has the molecular formula C10H15F2NO3 and a molecular weight of 235.23 g/mol. Its IUPAC name is 8,8-difluoro-3-hydroxy-2-azaspiro[4.5]decane-2-carboxylic acid.

Molecular Properties

Compound Name8,8-difluoro-3-hydroxy-2-azaspiro[4.5]decane-2-carboxylic acid
PubChem CID175780761
Molecular FormulaC10H15F2NO3
Molecular Weight235.23 g/mol
Exact Mass235.10
IUPAC Name8,8-difluoro-3-hydroxy-2-azaspiro[4.5]decane-2-carboxylic acid
SMILESO=C(O)N1CC2(CCC(F)(F)CC2)CC1O
InChIInChI=1S/C10H15F2NO3/c11-10(12)3-1-9(2-4-10)5-7(14)13(6-9)8(15)16/h7,14H,1-6H2,(H,15,16)
InChIKeyMQMVXJIKFDYLST-UHFFFAOYSA-N
XLogP1.88
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-3-hydroxy-2-azaspiro[4.5]decane-2-carboxylic acid?
The IUPAC name of 8,8-difluoro-3-hydroxy-2-azaspiro[4.5]decane-2-carboxylic acid (CID 175780761) is 8,8-difluoro-3-hydroxy-2-azaspiro[4.5]decane-2-carboxylic acid.
What is the SMILES notation for 8,8-difluoro-3-hydroxy-2-azaspiro[4.5]decane-2-carboxylic acid?
The canonical SMILES for 8,8-difluoro-3-hydroxy-2-azaspiro[4.5]decane-2-carboxylic acid is O=C(O)N1CC2(CCC(F)(F)CC2)CC1O.
What is the InChIKey of 8,8-difluoro-3-hydroxy-2-azaspiro[4.5]decane-2-carboxylic acid?
The InChIKey is MQMVXJIKFDYLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO3/c11-10(12)3-1-9(2-4-10)5-7(14)13(6-9)8(15)16/h7,14H,1-6H2,(H,15,16).
What are the key properties of 8,8-difluoro-3-hydroxy-2-azaspiro[4.5]decane-2-carboxylic acid?
8,8-difluoro-3-hydroxy-2-azaspiro[4.5]decane-2-carboxylic acid has a molecular weight of 235.23 g/mol, XLogP of 1.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-3-hydroxy-2-azaspiro[4.5]decane-2-carboxylic acid is sourced from PubChem (CID 175780761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).