1-[5-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-yl]ethanone

C17H11F3O2 — CID 23005288

IUPAC1-[5-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-yl]ethanone
SMILESCC(=O)c1cc2cc(-c3ccc(C(F)(F)F)cc3)ccc2o1
InChIInChI=1S/C17H11F3O2/c1-10(21)16-9-13-8-12(4-7-15(13)22-16)11-2-5-14(6-3-11)17(18,19)20/h2-9H,1H3
InChIKeyZIORBJBWAFERJF-UHFFFAOYSA-N
MW304.27 g/mol
LogP5.32
Rot. Bonds2

About 1-[5-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-yl]ethanone

1-[5-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-yl]ethanone (PubChem CID 23005288) has the molecular formula C17H11F3O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is 1-[5-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-yl]ethanone
PubChem CID23005288
Molecular FormulaC17H11F3O2
Molecular Weight304.27 g/mol
Exact Mass304.07
IUPAC Name1-[5-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-yl]ethanone
SMILESCC(=O)c1cc2cc(-c3ccc(C(F)(F)F)cc3)ccc2o1
InChIInChI=1S/C17H11F3O2/c1-10(21)16-9-13-8-12(4-7-15(13)22-16)11-2-5-14(6-3-11)17(18,19)20/h2-9H,1H3
InChIKeyZIORBJBWAFERJF-UHFFFAOYSA-N
XLogP5.32
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.27
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-yl]ethanone?
The IUPAC name of 1-[5-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-yl]ethanone (CID 23005288) is 1-[5-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-yl]ethanone.
What is the SMILES notation for 1-[5-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-yl]ethanone?
The canonical SMILES for 1-[5-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-yl]ethanone is CC(=O)c1cc2cc(-c3ccc(C(F)(F)F)cc3)ccc2o1.
What is the InChIKey of 1-[5-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-yl]ethanone?
The InChIKey is ZIORBJBWAFERJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3O2/c1-10(21)16-9-13-8-12(4-7-15(13)22-16)11-2-5-14(6-3-11)17(18,19)20/h2-9H,1H3.
What are the key properties of 1-[5-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-yl]ethanone?
1-[5-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-yl]ethanone has a molecular weight of 304.27 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-yl]ethanone is sourced from PubChem (CID 23005288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).