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

C13H13F3O2 — CID 66367223

IUPAC2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one
SMILESCC1(C)C(=O)CC1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3O2/c1-12(2)10(17)7-11(12)18-9-5-3-4-8(6-9)13(14,15)16/h3-6,11H,7H2,1-2H3
InChIKeyIQCZEVZKFZJYEW-UHFFFAOYSA-N
MW258.24 g/mol
LogP3.45
Rot. Bonds2

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

2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one (PubChem CID 66367223) has the molecular formula C13H13F3O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is 2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one
PubChem CID66367223
Molecular FormulaC13H13F3O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Name2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one
SMILESCC1(C)C(=O)CC1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3O2/c1-12(2)10(17)7-11(12)18-9-5-3-4-8(6-9)13(14,15)16/h3-6,11H,7H2,1-2H3
InChIKeyIQCZEVZKFZJYEW-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one
CID 66367022
2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine
CID 66359024
3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylcyclobutan-1-one
CID 66366182
1-cyclobutyloxy-3-(trifluoromethyl)benzene
CID 124519367
2-ethyl-2-methyl-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one
CID 66368266
3-(4-bromo-3,5-dimethylphenoxy)-2,2-dimethylcyclobutan-1-one
CID 107727194
3-(4-ethylphenoxy)-2,2-dimethylcyclobutan-1-one
CID 66368834
3-[3-(trifluoromethyl)phenoxy]piperidin-2-one
CID 138484952
4-[3-(trifluoromethyl)phenoxy]oxane
CID 53217062
1-fluorosulfonyloxy-3-(trifluoromethyl)benzene
CID 71651266
1-(3-bromo-2-methoxycyclobutyl)oxy-3-(trifluoromethyl)benzene
CID 104673925
(2R,3S)-2-methyl-3-[3-(trifluoromethyl)phenoxy]azetidine;oxalic acid
CID 67885896

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one?
The IUPAC name of 2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one (CID 66367223) is 2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one.
What is the SMILES notation for 2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one?
The canonical SMILES for 2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one is CC1(C)C(=O)CC1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one?
The InChIKey is IQCZEVZKFZJYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O2/c1-12(2)10(17)7-11(12)18-9-5-3-4-8(6-9)13(14,15)16/h3-6,11H,7H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one?
2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one has a molecular weight of 258.24 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one is sourced from PubChem (CID 66367223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).