2,2-dimethyl-1-[1-(trifluoromethyl)cyclobutyl]propan-1-one

C10H15F3O — CID 59542917

IUPAC2,2-dimethyl-1-[1-(trifluoromethyl)cyclobutyl]propan-1-one
SMILESCC(C)(C)C(=O)C1(C(F)(F)F)CCC1
InChIInChI=1S/C10H15F3O/c1-8(2,3)7(14)9(5-4-6-9)10(11,12)13/h4-6H2,1-3H3
InChIKeyABXCDYHARZUCJK-UHFFFAOYSA-N
MW208.22 g/mol
LogP3.33
Rot. Bonds1

About 2,2-dimethyl-1-[1-(trifluoromethyl)cyclobutyl]propan-1-one

2,2-dimethyl-1-[1-(trifluoromethyl)cyclobutyl]propan-1-one (PubChem CID 59542917) has the molecular formula C10H15F3O and a molecular weight of 208.22 g/mol. Its IUPAC name is 2,2-dimethyl-1-[1-(trifluoromethyl)cyclobutyl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[1-(trifluoromethyl)cyclobutyl]propan-1-one
PubChem CID59542917
Molecular FormulaC10H15F3O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name2,2-dimethyl-1-[1-(trifluoromethyl)cyclobutyl]propan-1-one
SMILESCC(C)(C)C(=O)C1(C(F)(F)F)CCC1
InChIInChI=1S/C10H15F3O/c1-8(2,3)7(14)9(5-4-6-9)10(11,12)13/h4-6H2,1-3H3
InChIKeyABXCDYHARZUCJK-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[1-(trifluoromethyl)cyclobutyl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[1-(trifluoromethyl)cyclobutyl]propan-1-one (CID 59542917) is 2,2-dimethyl-1-[1-(trifluoromethyl)cyclobutyl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[1-(trifluoromethyl)cyclobutyl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[1-(trifluoromethyl)cyclobutyl]propan-1-one is CC(C)(C)C(=O)C1(C(F)(F)F)CCC1.
What is the InChIKey of 2,2-dimethyl-1-[1-(trifluoromethyl)cyclobutyl]propan-1-one?
The InChIKey is ABXCDYHARZUCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O/c1-8(2,3)7(14)9(5-4-6-9)10(11,12)13/h4-6H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[1-(trifluoromethyl)cyclobutyl]propan-1-one?
2,2-dimethyl-1-[1-(trifluoromethyl)cyclobutyl]propan-1-one has a molecular weight of 208.22 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[1-(trifluoromethyl)cyclobutyl]propan-1-one is sourced from PubChem (CID 59542917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).