2-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanone

C11H8F6O2 — CID 18700182

IUPAC2-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(COCC(F)(F)F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H8F6O2/c12-10(13,14)6-19-5-9(18)7-2-1-3-8(4-7)11(15,16)17/h1-4H,5-6H2
InChIKeyFVIVXHOQJBJFEJ-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.47
Rot. Bonds4

About 2-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanone

2-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 18700182) has the molecular formula C11H8F6O2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID18700182
Molecular FormulaC11H8F6O2
Molecular Weight286.17 g/mol
Exact Mass286.04
IUPAC Name2-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(COCC(F)(F)F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H8F6O2/c12-10(13,14)6-19-5-9(18)7-2-1-3-8(4-7)11(15,16)17/h1-4H,5-6H2
InChIKeyFVIVXHOQJBJFEJ-UHFFFAOYSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanone (CID 18700182) is 2-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanone is O=C(COCC(F)(F)F)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is FVIVXHOQJBJFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F6O2/c12-10(13,14)6-19-5-9(18)7-2-1-3-8(4-7)11(15,16)17/h1-4H,5-6H2.
What are the key properties of 2-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanone?
2-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 286.17 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 18700182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).