2,2-diethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one

C15H17F3O2 — CID 66367022

IUPAC2,2-diethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one
SMILESCCC1(CC)C(=O)CC1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H17F3O2/c1-3-14(4-2)12(19)9-13(14)20-11-7-5-6-10(8-11)15(16,17)18/h5-8,13H,3-4,9H2,1-2H3
InChIKeyUYVOJWQPIASQJU-UHFFFAOYSA-N
MW286.29 g/mol
LogP4.23
Rot. Bonds4

About 2,2-diethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one

2,2-diethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one (PubChem CID 66367022) has the molecular formula C15H17F3O2 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2,2-diethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one.

Molecular Properties

Compound Name2,2-diethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one
PubChem CID66367022
Molecular FormulaC15H17F3O2
Molecular Weight286.29 g/mol
Exact Mass286.12
IUPAC Name2,2-diethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one
SMILESCCC1(CC)C(=O)CC1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H17F3O2/c1-3-14(4-2)12(19)9-13(14)20-11-7-5-6-10(8-11)15(16,17)18/h5-8,13H,3-4,9H2,1-2H3
InChIKeyUYVOJWQPIASQJU-UHFFFAOYSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-diethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one?
The IUPAC name of 2,2-diethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one (CID 66367022) is 2,2-diethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one.
What is the SMILES notation for 2,2-diethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one?
The canonical SMILES for 2,2-diethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one is CCC1(CC)C(=O)CC1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,2-diethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one?
The InChIKey is UYVOJWQPIASQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O2/c1-3-14(4-2)12(19)9-13(14)20-11-7-5-6-10(8-11)15(16,17)18/h5-8,13H,3-4,9H2,1-2H3.
What are the key properties of 2,2-diethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one?
2,2-diethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one has a molecular weight of 286.29 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one is sourced from PubChem (CID 66367022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).