2-ethoxy-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one

C13H13F3O3 — CID 113439863

IUPAC2-ethoxy-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one
SMILESCCOC1C(=O)CC1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H13F3O3/c1-2-18-12-10(17)7-11(12)19-9-5-3-8(4-6-9)13(14,15)16/h3-6,11-12H,2,7H2,1H3
InChIKeyKTWKVGKHKGBIJL-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.83
Rot. Bonds4

About 2-ethoxy-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one

2-ethoxy-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one (PubChem CID 113439863) has the molecular formula C13H13F3O3 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2-ethoxy-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one.

Molecular Properties

Compound Name2-ethoxy-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one
PubChem CID113439863
Molecular FormulaC13H13F3O3
Molecular Weight274.24 g/mol
Exact Mass274.08
IUPAC Name2-ethoxy-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one
SMILESCCOC1C(=O)CC1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H13F3O3/c1-2-18-12-10(17)7-11(12)19-9-5-3-8(4-6-9)13(14,15)16/h3-6,11-12H,2,7H2,1H3
InChIKeyKTWKVGKHKGBIJL-UHFFFAOYSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one?
The IUPAC name of 2-ethoxy-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one (CID 113439863) is 2-ethoxy-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one.
What is the SMILES notation for 2-ethoxy-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one?
The canonical SMILES for 2-ethoxy-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one is CCOC1C(=O)CC1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-ethoxy-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one?
The InChIKey is KTWKVGKHKGBIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O3/c1-2-18-12-10(17)7-11(12)19-9-5-3-8(4-6-9)13(14,15)16/h3-6,11-12H,2,7H2,1H3.
What are the key properties of 2-ethoxy-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one?
2-ethoxy-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one has a molecular weight of 274.24 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one is sourced from PubChem (CID 113439863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).