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

C10H9F3O2 — CID 10192675

IUPAC2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanone
SMILESCOCC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O2/c1-15-6-9(14)7-2-4-8(5-3-7)10(11,12)13/h2-5H,6H2,1H3
InChIKeyWDXVCXWXZAMAKA-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.53
Rot. Bonds3

About 2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanone

2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 10192675) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is 2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID10192675
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanone
SMILESCOCC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O2/c1-15-6-9(14)7-2-4-8(5-3-7)10(11,12)13/h2-5H,6H2,1H3
InChIKeyWDXVCXWXZAMAKA-UHFFFAOYSA-N
XLogP2.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanone (CID 10192675) is 2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanone is COCC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is WDXVCXWXZAMAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2/c1-15-6-9(14)7-2-4-8(5-3-7)10(11,12)13/h2-5H,6H2,1H3.
What are the key properties of 2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanone?
2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 218.17 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 10192675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).