7,7-difluoro-3-oxospiro[3.5]nonane-1-carboxylic acid

C10H12F2O3 — CID 155973101

IUPAC7,7-difluoro-3-oxospiro[3.5]nonane-1-carboxylic acid
SMILESO=C(O)C1CC(=O)C12CCC(F)(F)CC2
InChIInChI=1S/C10H12F2O3/c11-10(12)3-1-9(2-4-10)6(8(14)15)5-7(9)13/h6H,1-5H2,(H,14,15)
InChIKeySXNWBNDLKJUTIB-UHFFFAOYSA-N
MW218.20 g/mol
LogP1.86
Rot. Bonds1

About 7,7-difluoro-3-oxospiro[3.5]nonane-1-carboxylic acid

7,7-difluoro-3-oxospiro[3.5]nonane-1-carboxylic acid (PubChem CID 155973101) has the molecular formula C10H12F2O3 and a molecular weight of 218.20 g/mol. Its IUPAC name is 7,7-difluoro-3-oxospiro[3.5]nonane-1-carboxylic acid.

Molecular Properties

Compound Name7,7-difluoro-3-oxospiro[3.5]nonane-1-carboxylic acid
PubChem CID155973101
Molecular FormulaC10H12F2O3
Molecular Weight218.20 g/mol
Exact Mass218.08
IUPAC Name7,7-difluoro-3-oxospiro[3.5]nonane-1-carboxylic acid
SMILESO=C(O)C1CC(=O)C12CCC(F)(F)CC2
InChIInChI=1S/C10H12F2O3/c11-10(12)3-1-9(2-4-10)6(8(14)15)5-7(9)13/h6H,1-5H2,(H,14,15)
InChIKeySXNWBNDLKJUTIB-UHFFFAOYSA-N
XLogP1.86
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-3-oxospiro[3.5]nonane-1-carboxylic acid?
The IUPAC name of 7,7-difluoro-3-oxospiro[3.5]nonane-1-carboxylic acid (CID 155973101) is 7,7-difluoro-3-oxospiro[3.5]nonane-1-carboxylic acid.
What is the SMILES notation for 7,7-difluoro-3-oxospiro[3.5]nonane-1-carboxylic acid?
The canonical SMILES for 7,7-difluoro-3-oxospiro[3.5]nonane-1-carboxylic acid is O=C(O)C1CC(=O)C12CCC(F)(F)CC2.
What is the InChIKey of 7,7-difluoro-3-oxospiro[3.5]nonane-1-carboxylic acid?
The InChIKey is SXNWBNDLKJUTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O3/c11-10(12)3-1-9(2-4-10)6(8(14)15)5-7(9)13/h6H,1-5H2,(H,14,15).
What are the key properties of 7,7-difluoro-3-oxospiro[3.5]nonane-1-carboxylic acid?
7,7-difluoro-3-oxospiro[3.5]nonane-1-carboxylic acid has a molecular weight of 218.20 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-3-oxospiro[3.5]nonane-1-carboxylic acid is sourced from PubChem (CID 155973101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).