2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]acetic acid

C8H11F3O3 — CID 103272470

IUPAC2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]acetic acid
SMILESO=C(O)CC1(OCC(F)(F)F)CCC1
InChIInChI=1S/C8H11F3O3/c9-8(10,11)5-14-7(2-1-3-7)4-6(12)13/h1-5H2,(H,12,13)
InChIKeyVVCJAFBRVFSTIX-UHFFFAOYSA-N
MW212.17 g/mol
LogP1.96
Rot. Bonds4

About 2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]acetic acid

2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]acetic acid (PubChem CID 103272470) has the molecular formula C8H11F3O3 and a molecular weight of 212.17 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]acetic acid
PubChem CID103272470
Molecular FormulaC8H11F3O3
Molecular Weight212.17 g/mol
Exact Mass212.07
IUPAC Name2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]acetic acid
SMILESO=C(O)CC1(OCC(F)(F)F)CCC1
InChIInChI=1S/C8H11F3O3/c9-8(10,11)5-14-7(2-1-3-7)4-6(12)13/h1-5H2,(H,12,13)
InChIKeyVVCJAFBRVFSTIX-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]acetic acid (CID 103272470) is 2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]acetic acid is O=C(O)CC1(OCC(F)(F)F)CCC1.
What is the InChIKey of 2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]acetic acid?
The InChIKey is VVCJAFBRVFSTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O3/c9-8(10,11)5-14-7(2-1-3-7)4-6(12)13/h1-5H2,(H,12,13).
What are the key properties of 2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]acetic acid?
2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]acetic acid has a molecular weight of 212.17 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]acetic acid is sourced from PubChem (CID 103272470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).