1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone

C11H11F3O3 — CID 84803559

IUPAC1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone
SMILESCOc1cc(C(F)(F)F)cc(OC)c1C(C)=O
InChIInChI=1S/C11H11F3O3/c1-6(15)10-8(16-2)4-7(11(12,13)14)5-9(10)17-3/h4-5H,1-3H3
InChIKeyZBPYZWRKTNGMJR-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.93
Rot. Bonds3

About 1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone

1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone (PubChem CID 84803559) has the molecular formula C11H11F3O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is 1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone
PubChem CID84803559
Molecular FormulaC11H11F3O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Name1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone
SMILESCOc1cc(C(F)(F)F)cc(OC)c1C(C)=O
InChIInChI=1S/C11H11F3O3/c1-6(15)10-8(16-2)4-7(11(12,13)14)5-9(10)17-3/h4-5H,1-3H3
InChIKeyZBPYZWRKTNGMJR-UHFFFAOYSA-N
XLogP2.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butyl-2,6-dimethoxyphenyl)ethanone
CID 67914983
1-(4-fluoro-2,6-dimethoxyphenyl)ethanone
CID 117287701
2-cyano-6-methoxy-4-(trifluoromethyl)benzamide
CID 171031277
1-[2-hydroxy-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-one
CID 84803557
2-fluoro-3-methoxy-5-(trifluoromethyl)benzoyl chloride
CID 171020416
4-acetyl-3-methoxy-5-(trifluoromethyl)benzonitrile
CID 171031262
1-[4-methoxy-2,6-bis(trifluoromethyl)phenyl]ethanone
CID 134640576
1-[6-methoxy-3-methyl-2-(trifluoromethyl)phenyl]ethanone
CID 170996815
2-methoxy-4-(trifluoromethyl)benzoic acid
CID 3690873
1-[4-(8-bromo-2-methyloctan-2-yl)-2,6-dimethoxyphenyl]ethanone
CID 23246210
2-methoxy-6-phenylmethoxy-4-(trifluoromethyl)benzamide
CID 58062859
methyl 2-methoxy-4-(trifluoromethyl)benzoate
CID 24728010

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone (CID 84803559) is 1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone is COc1cc(C(F)(F)F)cc(OC)c1C(C)=O.
What is the InChIKey of 1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is ZBPYZWRKTNGMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O3/c1-6(15)10-8(16-2)4-7(11(12,13)14)5-9(10)17-3/h4-5H,1-3H3.
What are the key properties of 1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone?
1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 248.20 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 84803559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).