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

C14H15F3O2 — CID 66368266

IUPAC2-ethyl-2-methyl-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one
SMILESCCC1(C)C(=O)CC1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H15F3O2/c1-3-13(2)11(18)8-12(13)19-10-6-4-9(5-7-10)14(15,16)17/h4-7,12H,3,8H2,1-2H3
InChIKeyYPIDGWVTLILKFF-UHFFFAOYSA-N
MW272.27 g/mol
LogP3.84
Rot. Bonds3

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

2-ethyl-2-methyl-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one (PubChem CID 66368266) has the molecular formula C14H15F3O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is 2-ethyl-2-methyl-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one.

Molecular Properties

Compound Name2-ethyl-2-methyl-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one
PubChem CID66368266
Molecular FormulaC14H15F3O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Name2-ethyl-2-methyl-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one
SMILESCCC1(C)C(=O)CC1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H15F3O2/c1-3-13(2)11(18)8-12(13)19-10-6-4-9(5-7-10)14(15,16)17/h4-7,12H,3,8H2,1-2H3
InChIKeyYPIDGWVTLILKFF-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one?
The IUPAC name of 2-ethyl-2-methyl-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one (CID 66368266) is 2-ethyl-2-methyl-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one.
What is the SMILES notation for 2-ethyl-2-methyl-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one?
The canonical SMILES for 2-ethyl-2-methyl-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one is CCC1(C)C(=O)CC1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-ethyl-2-methyl-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one?
The InChIKey is YPIDGWVTLILKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O2/c1-3-13(2)11(18)8-12(13)19-10-6-4-9(5-7-10)14(15,16)17/h4-7,12H,3,8H2,1-2H3.
What are the key properties of 2-ethyl-2-methyl-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one?
2-ethyl-2-methyl-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one has a molecular weight of 272.27 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one is sourced from PubChem (CID 66368266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).