1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanone

C10H9F3O2 — CID 2775290

IUPAC1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1C(F)(F)F
InChIInChI=1S/C10H9F3O2/c1-6(14)7-3-4-9(15-2)8(5-7)10(11,12)13/h3-5H,1-2H3
InChIKeyABUSWLOUSQWWLA-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.92
Rot. Bonds2

About 1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanone

1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanone (PubChem CID 2775290) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is 1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanone
PubChem CID2775290
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1C(F)(F)F
InChIInChI=1S/C10H9F3O2/c1-6(14)7-3-4-9(15-2)8(5-7)10(11,12)13/h3-5H,1-2H3
InChIKeyABUSWLOUSQWWLA-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanone (CID 2775290) is 1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanone is COc1ccc(C(C)=O)cc1C(F)(F)F.
What is the InChIKey of 1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is ABUSWLOUSQWWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2/c1-6(14)7-3-4-9(15-2)8(5-7)10(11,12)13/h3-5H,1-2H3.
What are the key properties of 1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanone?
1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 218.17 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 2775290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).