8,8-difluoro-2-oxaspiro[4.4]nonane-3-carboxylic acid

C9H12F2O3 — CID 162422513

IUPAC8,8-difluoro-2-oxaspiro[4.4]nonane-3-carboxylic acid
SMILESO=C(O)C1CC2(CCC(F)(F)C2)CO1
InChIInChI=1S/C9H12F2O3/c10-9(11)2-1-8(4-9)3-6(7(12)13)14-5-8/h6H,1-5H2,(H,12,13)
InChIKeyGKYBBMWUIDVJCC-UHFFFAOYSA-N
MW206.19 g/mol
LogP1.67
Rot. Bonds1

About 8,8-difluoro-2-oxaspiro[4.4]nonane-3-carboxylic acid

8,8-difluoro-2-oxaspiro[4.4]nonane-3-carboxylic acid (PubChem CID 162422513) has the molecular formula C9H12F2O3 and a molecular weight of 206.19 g/mol. Its IUPAC name is 8,8-difluoro-2-oxaspiro[4.4]nonane-3-carboxylic acid.

Molecular Properties

Compound Name8,8-difluoro-2-oxaspiro[4.4]nonane-3-carboxylic acid
PubChem CID162422513
Molecular FormulaC9H12F2O3
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Name8,8-difluoro-2-oxaspiro[4.4]nonane-3-carboxylic acid
SMILESO=C(O)C1CC2(CCC(F)(F)C2)CO1
InChIInChI=1S/C9H12F2O3/c10-9(11)2-1-8(4-9)3-6(7(12)13)14-5-8/h6H,1-5H2,(H,12,13)
InChIKeyGKYBBMWUIDVJCC-UHFFFAOYSA-N
XLogP1.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-2-oxaspiro[4.4]nonane-3-carboxylic acid?
The IUPAC name of 8,8-difluoro-2-oxaspiro[4.4]nonane-3-carboxylic acid (CID 162422513) is 8,8-difluoro-2-oxaspiro[4.4]nonane-3-carboxylic acid.
What is the SMILES notation for 8,8-difluoro-2-oxaspiro[4.4]nonane-3-carboxylic acid?
The canonical SMILES for 8,8-difluoro-2-oxaspiro[4.4]nonane-3-carboxylic acid is O=C(O)C1CC2(CCC(F)(F)C2)CO1.
What is the InChIKey of 8,8-difluoro-2-oxaspiro[4.4]nonane-3-carboxylic acid?
The InChIKey is GKYBBMWUIDVJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2O3/c10-9(11)2-1-8(4-9)3-6(7(12)13)14-5-8/h6H,1-5H2,(H,12,13).
What are the key properties of 8,8-difluoro-2-oxaspiro[4.4]nonane-3-carboxylic acid?
8,8-difluoro-2-oxaspiro[4.4]nonane-3-carboxylic acid has a molecular weight of 206.19 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-2-oxaspiro[4.4]nonane-3-carboxylic acid is sourced from PubChem (CID 162422513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).