6,6-difluorospiro[2.5]octane-2-carboxylic acid

C9H12F2O2 — CID 86276644

IUPAC6,6-difluorospiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCC(F)(F)CC2
InChIInChI=1S/C9H12F2O2/c10-9(11)3-1-8(2-4-9)5-6(8)7(12)13/h6H,1-5H2,(H,12,13)
InChIKeyHWDQLQCPHNGWIW-UHFFFAOYSA-N
MW190.19 g/mol
LogP2.29
Rot. Bonds1

About 6,6-difluorospiro[2.5]octane-2-carboxylic acid

6,6-difluorospiro[2.5]octane-2-carboxylic acid (PubChem CID 86276644) has the molecular formula C9H12F2O2 and a molecular weight of 190.19 g/mol. Its IUPAC name is 6,6-difluorospiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6,6-difluorospiro[2.5]octane-2-carboxylic acid
PubChem CID86276644
Molecular FormulaC9H12F2O2
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name6,6-difluorospiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCC(F)(F)CC2
InChIInChI=1S/C9H12F2O2/c10-9(11)3-1-8(2-4-9)5-6(8)7(12)13/h6H,1-5H2,(H,12,13)
InChIKeyHWDQLQCPHNGWIW-UHFFFAOYSA-N
XLogP2.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluorospiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6,6-difluorospiro[2.5]octane-2-carboxylic acid (CID 86276644) is 6,6-difluorospiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6,6-difluorospiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6,6-difluorospiro[2.5]octane-2-carboxylic acid is O=C(O)C1CC12CCC(F)(F)CC2.
What is the InChIKey of 6,6-difluorospiro[2.5]octane-2-carboxylic acid?
The InChIKey is HWDQLQCPHNGWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2O2/c10-9(11)3-1-8(2-4-9)5-6(8)7(12)13/h6H,1-5H2,(H,12,13).
What are the key properties of 6,6-difluorospiro[2.5]octane-2-carboxylic acid?
6,6-difluorospiro[2.5]octane-2-carboxylic acid has a molecular weight of 190.19 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluorospiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 86276644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).