2-fluoro-5,8-dioxaspiro[3.4]octane-2-carboxylic acid

C7H9FO4 — CID 135396871

IUPAC2-fluoro-5,8-dioxaspiro[3.4]octane-2-carboxylic acid
SMILESO=C(O)C1(F)CC2(C1)OCCO2
InChIInChI=1S/C7H9FO4/c8-6(5(9)10)3-7(4-6)11-1-2-12-7/h1-4H2,(H,9,10)
InChIKeyOIMHJVFQZNNZKI-UHFFFAOYSA-N
MW176.14 g/mol
LogP0.32
Rot. Bonds1

About 2-fluoro-5,8-dioxaspiro[3.4]octane-2-carboxylic acid

2-fluoro-5,8-dioxaspiro[3.4]octane-2-carboxylic acid (PubChem CID 135396871) has the molecular formula C7H9FO4 and a molecular weight of 176.14 g/mol. Its IUPAC name is 2-fluoro-5,8-dioxaspiro[3.4]octane-2-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-5,8-dioxaspiro[3.4]octane-2-carboxylic acid
PubChem CID135396871
Molecular FormulaC7H9FO4
Molecular Weight176.14 g/mol
Exact Mass176.05
IUPAC Name2-fluoro-5,8-dioxaspiro[3.4]octane-2-carboxylic acid
SMILESO=C(O)C1(F)CC2(C1)OCCO2
InChIInChI=1S/C7H9FO4/c8-6(5(9)10)3-7(4-6)11-1-2-12-7/h1-4H2,(H,9,10)
InChIKeyOIMHJVFQZNNZKI-UHFFFAOYSA-N
XLogP0.32
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,8-Dioxaspiro(3.4)octane-2-carboxylic acid
CID 45158798
3-(2-methyl-1,3-dioxolan-2-yl)propanoic Acid
CID 10931724
3-[2-(Trifluoromethyl)-1,3-dioxolan-2-yl]propanoic acid
CID 126578090
3-(2-(113C)methyl-(213C)1,3-dioxolan-2-yl)(1,2,3-13C3)propanoic acid
CID 10012250
2-Methyl-5,8-dioxaspiro[3.4]octane-2-carboxylic acid
CID 177787038

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5,8-dioxaspiro[3.4]octane-2-carboxylic acid?
The IUPAC name of 2-fluoro-5,8-dioxaspiro[3.4]octane-2-carboxylic acid (CID 135396871) is 2-fluoro-5,8-dioxaspiro[3.4]octane-2-carboxylic acid.
What is the SMILES notation for 2-fluoro-5,8-dioxaspiro[3.4]octane-2-carboxylic acid?
The canonical SMILES for 2-fluoro-5,8-dioxaspiro[3.4]octane-2-carboxylic acid is O=C(O)C1(F)CC2(C1)OCCO2.
What is the InChIKey of 2-fluoro-5,8-dioxaspiro[3.4]octane-2-carboxylic acid?
The InChIKey is OIMHJVFQZNNZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO4/c8-6(5(9)10)3-7(4-6)11-1-2-12-7/h1-4H2,(H,9,10).
What are the key properties of 2-fluoro-5,8-dioxaspiro[3.4]octane-2-carboxylic acid?
2-fluoro-5,8-dioxaspiro[3.4]octane-2-carboxylic acid has a molecular weight of 176.14 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5,8-dioxaspiro[3.4]octane-2-carboxylic acid is sourced from PubChem (CID 135396871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).