2-(3,3-difluorocyclobutyl)oxyacetic acid

C6H8F2O3 — CID 146048587

IUPAC2-(3,3-difluorocyclobutyl)oxyacetic acid
SMILESO=C(O)COC1CC(F)(F)C1
InChIInChI=1S/C6H8F2O3/c7-6(8)1-4(2-6)11-3-5(9)10/h4H,1-3H2,(H,9,10)
InChIKeyZOFHKCFTVHWVNM-UHFFFAOYSA-N
MW166.12 g/mol
LogP0.89
Rot. Bonds3

About 2-(3,3-difluorocyclobutyl)oxyacetic acid

2-(3,3-difluorocyclobutyl)oxyacetic acid (PubChem CID 146048587) has the molecular formula C6H8F2O3 and a molecular weight of 166.12 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)oxyacetic acid.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)oxyacetic acid
PubChem CID146048587
Molecular FormulaC6H8F2O3
Molecular Weight166.12 g/mol
Exact Mass166.04
IUPAC Name2-(3,3-difluorocyclobutyl)oxyacetic acid
SMILESO=C(O)COC1CC(F)(F)C1
InChIInChI=1S/C6H8F2O3/c7-6(8)1-4(2-6)11-3-5(9)10/h4H,1-3H2,(H,9,10)
InChIKeyZOFHKCFTVHWVNM-UHFFFAOYSA-N
XLogP0.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.12
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclobutyl)oxyacetic acid?
The IUPAC name of 2-(3,3-difluorocyclobutyl)oxyacetic acid (CID 146048587) is 2-(3,3-difluorocyclobutyl)oxyacetic acid.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)oxyacetic acid?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)oxyacetic acid is O=C(O)COC1CC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)oxyacetic acid?
The InChIKey is ZOFHKCFTVHWVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O3/c7-6(8)1-4(2-6)11-3-5(9)10/h4H,1-3H2,(H,9,10).
What are the key properties of 2-(3,3-difluorocyclobutyl)oxyacetic acid?
2-(3,3-difluorocyclobutyl)oxyacetic acid has a molecular weight of 166.12 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclobutyl)oxyacetic acid is sourced from PubChem (CID 146048587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).