1-(2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanone

C10H7F3O2 — CID 130630651

IUPAC1-(2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1ccc2c(c1)OCC2)C(F)(F)F
InChIInChI=1S/C10H7F3O2/c11-10(12,13)9(14)7-2-1-6-3-4-15-8(6)5-7/h1-2,5H,3-4H2
InChIKeyCSGZIONJNJPONT-UHFFFAOYSA-N
MW216.16 g/mol
LogP2.37
Rot. Bonds1

About 1-(2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanone

1-(2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanone (PubChem CID 130630651) has the molecular formula C10H7F3O2 and a molecular weight of 216.16 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanone
PubChem CID130630651
Molecular FormulaC10H7F3O2
Molecular Weight216.16 g/mol
Exact Mass216.04
IUPAC Name1-(2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1ccc2c(c1)OCC2)C(F)(F)F
InChIInChI=1S/C10H7F3O2/c11-10(12,13)9(14)7-2-1-6-3-4-15-8(6)5-7/h1-2,5H,3-4H2
InChIKeyCSGZIONJNJPONT-UHFFFAOYSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanone (CID 130630651) is 1-(2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanone is O=C(c1ccc2c(c1)OCC2)C(F)(F)F.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanone?
The InChIKey is CSGZIONJNJPONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3O2/c11-10(12,13)9(14)7-2-1-6-3-4-15-8(6)5-7/h1-2,5H,3-4H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanone?
1-(2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanone has a molecular weight of 216.16 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 130630651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).