2-(2,5-difluorophenoxy)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone

C16H12F2O3 — CID 75383989

IUPAC2-(2,5-difluorophenoxy)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
SMILESO=C(COc1cc(F)ccc1F)c1ccc2c(c1)COC2
InChIInChI=1S/C16H12F2O3/c17-13-3-4-14(18)16(6-13)21-9-15(19)10-1-2-11-7-20-8-12(11)5-10/h1-6H,7-9H2
InChIKeyNHCJPEDNEFOTJR-UHFFFAOYSA-N
MW290.26 g/mol
LogP3.26
Rot. Bonds4

About 2-(2,5-difluorophenoxy)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone

2-(2,5-difluorophenoxy)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone (PubChem CID 75383989) has the molecular formula C16H12F2O3 and a molecular weight of 290.26 g/mol. Its IUPAC name is 2-(2,5-difluorophenoxy)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-difluorophenoxy)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
PubChem CID75383989
Molecular FormulaC16H12F2O3
Molecular Weight290.26 g/mol
Exact Mass290.08
IUPAC Name2-(2,5-difluorophenoxy)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
SMILESO=C(COc1cc(F)ccc1F)c1ccc2c(c1)COC2
InChIInChI=1S/C16H12F2O3/c17-13-3-4-14(18)16(6-13)21-9-15(19)10-1-2-11-7-20-8-12(11)5-10/h1-6H,7-9H2
InChIKeyNHCJPEDNEFOTJR-UHFFFAOYSA-N
XLogP3.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanone
CID 63019690
1-(1,3-dihydro-2-benzofuran-5-yl)-2-propan-2-yloxyethanone
CID 115785102
2-(2,5-difluorophenoxy)-1-(2-fluorophenyl)ethanone
CID 63269522
2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
CID 65180261
1,3-dihydro-2-benzofuran-5-yl-(2,4,6-trifluorophenyl)methanone
CID 63731843
2-(2,5-difluorophenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 63269744
1-(1,3-dihydro-2-benzofuran-5-yl)-4-methylpent-4-en-1-one
CID 115802815
2-(2,5-difluorophenoxy)-1-(2-methylphenyl)ethanone
CID 55169275
1,3-dihydro-2-benzofuran-5-yl-(4-fluoro-2-iodophenyl)methanone
CID 114029198
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluorophenoxy)ethanone
CID 43413398
2-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)ethanone
CID 114674085
1-cyclopentyl-2-(2,5-difluorophenoxy)ethanone
CID 115733445

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenoxy)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone?
The IUPAC name of 2-(2,5-difluorophenoxy)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone (CID 75383989) is 2-(2,5-difluorophenoxy)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone.
What is the SMILES notation for 2-(2,5-difluorophenoxy)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone?
The canonical SMILES for 2-(2,5-difluorophenoxy)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone is O=C(COc1cc(F)ccc1F)c1ccc2c(c1)COC2.
What is the InChIKey of 2-(2,5-difluorophenoxy)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone?
The InChIKey is NHCJPEDNEFOTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2O3/c17-13-3-4-14(18)16(6-13)21-9-15(19)10-1-2-11-7-20-8-12(11)5-10/h1-6H,7-9H2.
What are the key properties of 2-(2,5-difluorophenoxy)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone?
2-(2,5-difluorophenoxy)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone has a molecular weight of 290.26 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenoxy)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone is sourced from PubChem (CID 75383989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).