1,3-dihydro-2-benzofuran-5-yl-(2,4,6-trifluorophenyl)methanone

C15H9F3O2 — CID 63731843

IUPAC1,3-dihydro-2-benzofuran-5-yl-(2,4,6-trifluorophenyl)methanone
SMILESO=C(c1ccc2c(c1)COC2)c1c(F)cc(F)cc1F
InChIInChI=1S/C15H9F3O2/c16-11-4-12(17)14(13(18)5-11)15(19)8-1-2-9-6-20-7-10(9)3-8/h1-5H,6-7H2
InChIKeyGMDGIGVLJKGYMD-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.37
Rot. Bonds2

About 1,3-dihydro-2-benzofuran-5-yl-(2,4,6-trifluorophenyl)methanone

1,3-dihydro-2-benzofuran-5-yl-(2,4,6-trifluorophenyl)methanone (PubChem CID 63731843) has the molecular formula C15H9F3O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-(2,4,6-trifluorophenyl)methanone.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-(2,4,6-trifluorophenyl)methanone
PubChem CID63731843
Molecular FormulaC15H9F3O2
Molecular Weight278.23 g/mol
Exact Mass278.06
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-(2,4,6-trifluorophenyl)methanone
SMILESO=C(c1ccc2c(c1)COC2)c1c(F)cc(F)cc1F
InChIInChI=1S/C15H9F3O2/c16-11-4-12(17)14(13(18)5-11)15(19)8-1-2-9-6-20-7-10(9)3-8/h1-5H,6-7H2
InChIKeyGMDGIGVLJKGYMD-UHFFFAOYSA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(2,4,6-trifluorophenyl)methanone?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(2,4,6-trifluorophenyl)methanone (CID 63731843) is 1,3-dihydro-2-benzofuran-5-yl-(2,4,6-trifluorophenyl)methanone.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-(2,4,6-trifluorophenyl)methanone?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-(2,4,6-trifluorophenyl)methanone is O=C(c1ccc2c(c1)COC2)c1c(F)cc(F)cc1F.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-(2,4,6-trifluorophenyl)methanone?
The InChIKey is GMDGIGVLJKGYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3O2/c16-11-4-12(17)14(13(18)5-11)15(19)8-1-2-9-6-20-7-10(9)3-8/h1-5H,6-7H2.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-(2,4,6-trifluorophenyl)methanone?
1,3-dihydro-2-benzofuran-5-yl-(2,4,6-trifluorophenyl)methanone has a molecular weight of 278.23 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-(2,4,6-trifluorophenyl)methanone is sourced from PubChem (CID 63731843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).