1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-one

C11H11F3O — CID 62548173

IUPAC1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-one
SMILESCc1cccc(C(=O)CC(F)(F)F)c1C
InChIInChI=1S/C11H11F3O/c1-7-4-3-5-9(8(7)2)10(15)6-11(12,13)14/h3-5H,6H2,1-2H3
InChIKeyUSTGJFPUXXUJHO-UHFFFAOYSA-N
MW216.20 g/mol
LogP3.44
Rot. Bonds2

About 1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-one

1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-one (PubChem CID 62548173) has the molecular formula C11H11F3O and a molecular weight of 216.20 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-one.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-one
PubChem CID62548173
Molecular FormulaC11H11F3O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-one
SMILESCc1cccc(C(=O)CC(F)(F)F)c1C
InChIInChI=1S/C11H11F3O/c1-7-4-3-5-9(8(7)2)10(15)6-11(12,13)14/h3-5H,6H2,1-2H3
InChIKeyUSTGJFPUXXUJHO-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-cyclopentyl-1-(2,3-dimethylphenyl)propan-1-one
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1-(2,3-dimethylphenyl)-3-hydroxybutan-1-one
CID 162516243
2,3-dimethyl-N-(2,2,2-trifluoroethoxy)benzamide
CID 81341000
1-(2,3-dimethylphenyl)-4-methylpentan-1-one
CID 62548356
1,3-bis(2,3-dimethylphenyl)propan-1-one
CID 24726238
1-(2,3-dimethylphenyl)nonan-1-one
CID 112698774
2,3-dimethylbenzoyl iodide
CID 87941796
2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-one?
The IUPAC name of 1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-one (CID 62548173) is 1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-one.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-one?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-one is Cc1cccc(C(=O)CC(F)(F)F)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-one?
The InChIKey is USTGJFPUXXUJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O/c1-7-4-3-5-9(8(7)2)10(15)6-11(12,13)14/h3-5H,6H2,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-one?
1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-one has a molecular weight of 216.20 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-one is sourced from PubChem (CID 62548173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).