3-[3-(trifluoromethoxy)cyclobutyl]propanoic acid

C8H11F3O3 — CID 137480133

IUPAC3-[3-(trifluoromethoxy)cyclobutyl]propanoic acid
SMILESO=C(O)CCC1CC(OC(F)(F)F)C1
InChIInChI=1S/C8H11F3O3/c9-8(10,11)14-6-3-5(4-6)1-2-7(12)13/h5-6H,1-4H2,(H,12,13)
InChIKeyXOPZCJJAYCABSS-UHFFFAOYSA-N
MW212.17 g/mol
LogP2.17
Rot. Bonds4

About 3-[3-(trifluoromethoxy)cyclobutyl]propanoic acid

3-[3-(trifluoromethoxy)cyclobutyl]propanoic acid (PubChem CID 137480133) has the molecular formula C8H11F3O3 and a molecular weight of 212.17 g/mol. Its IUPAC name is 3-[3-(trifluoromethoxy)cyclobutyl]propanoic acid.

Molecular Properties

Compound Name3-[3-(trifluoromethoxy)cyclobutyl]propanoic acid
PubChem CID137480133
Molecular FormulaC8H11F3O3
Molecular Weight212.17 g/mol
Exact Mass212.07
IUPAC Name3-[3-(trifluoromethoxy)cyclobutyl]propanoic acid
SMILESO=C(O)CCC1CC(OC(F)(F)F)C1
InChIInChI=1S/C8H11F3O3/c9-8(10,11)14-6-3-5(4-6)1-2-7(12)13/h5-6H,1-4H2,(H,12,13)
InChIKeyXOPZCJJAYCABSS-UHFFFAOYSA-N
XLogP2.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethoxy)cyclobutyl]propanoic acid?
The IUPAC name of 3-[3-(trifluoromethoxy)cyclobutyl]propanoic acid (CID 137480133) is 3-[3-(trifluoromethoxy)cyclobutyl]propanoic acid.
What is the SMILES notation for 3-[3-(trifluoromethoxy)cyclobutyl]propanoic acid?
The canonical SMILES for 3-[3-(trifluoromethoxy)cyclobutyl]propanoic acid is O=C(O)CCC1CC(OC(F)(F)F)C1.
What is the InChIKey of 3-[3-(trifluoromethoxy)cyclobutyl]propanoic acid?
The InChIKey is XOPZCJJAYCABSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O3/c9-8(10,11)14-6-3-5(4-6)1-2-7(12)13/h5-6H,1-4H2,(H,12,13).
What are the key properties of 3-[3-(trifluoromethoxy)cyclobutyl]propanoic acid?
3-[3-(trifluoromethoxy)cyclobutyl]propanoic acid has a molecular weight of 212.17 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethoxy)cyclobutyl]propanoic acid is sourced from PubChem (CID 137480133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).