1-[1-(trifluoromethyl)cyclobutyl]ethanone

C7H9F3O — CID 58834326

IUPAC1-[1-(trifluoromethyl)cyclobutyl]ethanone
SMILESCC(=O)C1(C(F)(F)F)CCC1
InChIInChI=1S/C7H9F3O/c1-5(11)6(3-2-4-6)7(8,9)10/h2-4H2,1H3
InChIKeyIZOHNGLTCDFHMS-UHFFFAOYSA-N
MW166.14 g/mol
LogP2.31
Rot. Bonds1

About 1-[1-(trifluoromethyl)cyclobutyl]ethanone

1-[1-(trifluoromethyl)cyclobutyl]ethanone (PubChem CID 58834326) has the molecular formula C7H9F3O and a molecular weight of 166.14 g/mol. Its IUPAC name is 1-[1-(trifluoromethyl)cyclobutyl]ethanone.

Molecular Properties

Compound Name1-[1-(trifluoromethyl)cyclobutyl]ethanone
PubChem CID58834326
Molecular FormulaC7H9F3O
Molecular Weight166.14 g/mol
Exact Mass166.06
IUPAC Name1-[1-(trifluoromethyl)cyclobutyl]ethanone
SMILESCC(=O)C1(C(F)(F)F)CCC1
InChIInChI=1S/C7H9F3O/c1-5(11)6(3-2-4-6)7(8,9)10/h2-4H2,1H3
InChIKeyIZOHNGLTCDFHMS-UHFFFAOYSA-N
XLogP2.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(trifluoromethyl)cyclobutyl]ethanone?
The IUPAC name of 1-[1-(trifluoromethyl)cyclobutyl]ethanone (CID 58834326) is 1-[1-(trifluoromethyl)cyclobutyl]ethanone.
What is the SMILES notation for 1-[1-(trifluoromethyl)cyclobutyl]ethanone?
The canonical SMILES for 1-[1-(trifluoromethyl)cyclobutyl]ethanone is CC(=O)C1(C(F)(F)F)CCC1.
What is the InChIKey of 1-[1-(trifluoromethyl)cyclobutyl]ethanone?
The InChIKey is IZOHNGLTCDFHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O/c1-5(11)6(3-2-4-6)7(8,9)10/h2-4H2,1H3.
What are the key properties of 1-[1-(trifluoromethyl)cyclobutyl]ethanone?
1-[1-(trifluoromethyl)cyclobutyl]ethanone has a molecular weight of 166.14 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(trifluoromethyl)cyclobutyl]ethanone is sourced from PubChem (CID 58834326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).