2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl chloride

C7H8ClF3O3 — CID 139512501

IUPAC2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl chloride
SMILESO=C(Cl)COC1CC(OC(F)(F)F)C1
InChIInChI=1S/C7H8ClF3O3/c8-6(12)3-13-4-1-5(2-4)14-7(9,10)11/h4-5H,1-3H2
InChIKeyDOBNRRXPRKIHHE-UHFFFAOYSA-N
MW232.58 g/mol
LogP1.84
Rot. Bonds4

About 2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl chloride

2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl chloride (PubChem CID 139512501) has the molecular formula C7H8ClF3O3 and a molecular weight of 232.58 g/mol. Its IUPAC name is 2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl chloride.

Molecular Properties

Compound Name2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl chloride
PubChem CID139512501
Molecular FormulaC7H8ClF3O3
Molecular Weight232.58 g/mol
Exact Mass232.01
IUPAC Name2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl chloride
SMILESO=C(Cl)COC1CC(OC(F)(F)F)C1
InChIInChI=1S/C7H8ClF3O3/c8-6(12)3-13-4-1-5(2-4)14-7(9,10)11/h4-5H,1-3H2
InChIKeyDOBNRRXPRKIHHE-UHFFFAOYSA-N
XLogP1.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.58
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl chloride?
The IUPAC name of 2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl chloride (CID 139512501) is 2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl chloride.
What is the SMILES notation for 2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl chloride?
The canonical SMILES for 2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl chloride is O=C(Cl)COC1CC(OC(F)(F)F)C1.
What is the InChIKey of 2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl chloride?
The InChIKey is DOBNRRXPRKIHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3O3/c8-6(12)3-13-4-1-5(2-4)14-7(9,10)11/h4-5H,1-3H2.
What are the key properties of 2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl chloride?
2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl chloride has a molecular weight of 232.58 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl chloride is sourced from PubChem (CID 139512501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).