2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanone

C11H11F3O — CID 2759517

IUPAC2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanone
SMILESCC(C)c1cccc(C(=O)C(F)(F)F)c1
InChIInChI=1S/C11H11F3O/c1-7(2)8-4-3-5-9(6-8)10(15)11(12,13)14/h3-7H,1-2H3
InChIKeyVQYXARBYTICRRJ-UHFFFAOYSA-N
MW216.20 g/mol
LogP3.56
Rot. Bonds2

About 2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanone

2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanone (PubChem CID 2759517) has the molecular formula C11H11F3O and a molecular weight of 216.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanone
PubChem CID2759517
Molecular FormulaC11H11F3O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanone
SMILESCC(C)c1cccc(C(=O)C(F)(F)F)c1
InChIInChI=1S/C11H11F3O/c1-7(2)8-4-3-5-9(6-8)10(15)11(12,13)14/h3-7H,1-2H3
InChIKeyVQYXARBYTICRRJ-UHFFFAOYSA-N
XLogP3.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanone (CID 2759517) is 2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanone is CC(C)c1cccc(C(=O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanone?
The InChIKey is VQYXARBYTICRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O/c1-7(2)8-4-3-5-9(6-8)10(15)11(12,13)14/h3-7H,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanone?
2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanone has a molecular weight of 216.20 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 2759517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).