1-(1-benzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone

C12H9F3O3 — CID 43799431

IUPAC1-(1-benzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)c1coc2ccccc12
InChIInChI=1S/C12H9F3O3/c13-12(14,15)7-17-6-10(16)9-5-18-11-4-2-1-3-8(9)11/h1-5H,6-7H2
InChIKeyUWASNXYTMQEVSD-UHFFFAOYSA-N
MW258.19 g/mol
LogP3.19
Rot. Bonds4

About 1-(1-benzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(1-benzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 43799431) has the molecular formula C12H9F3O3 and a molecular weight of 258.19 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID43799431
Molecular FormulaC12H9F3O3
Molecular Weight258.19 g/mol
Exact Mass258.05
IUPAC Name1-(1-benzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)c1coc2ccccc12
InChIInChI=1S/C12H9F3O3/c13-12(14,15)7-17-6-10(16)9-5-18-11-4-2-1-3-8(9)11/h1-5H,6-7H2
InChIKeyUWASNXYTMQEVSD-UHFFFAOYSA-N
XLogP3.19
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 43799431) is 1-(1-benzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone is O=C(COCC(F)(F)F)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is UWASNXYTMQEVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3O3/c13-12(14,15)7-17-6-10(16)9-5-18-11-4-2-1-3-8(9)11/h1-5H,6-7H2.
What are the key properties of 1-(1-benzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(1-benzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 258.19 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 43799431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).