1,3-dihydro-2-benzofuran-5-yl-(4-fluoro-2-iodophenyl)methanone

C15H10FIO2 — CID 114029198

IUPAC1,3-dihydro-2-benzofuran-5-yl-(4-fluoro-2-iodophenyl)methanone
SMILESO=C(c1ccc2c(c1)COC2)c1ccc(F)cc1I
InChIInChI=1S/C15H10FIO2/c16-12-3-4-13(14(17)6-12)15(18)9-1-2-10-7-19-8-11(10)5-9/h1-6H,7-8H2
InChIKeyMEYAPACHGBMHFC-UHFFFAOYSA-N
MW368.15 g/mol
LogP3.69
Rot. Bonds2

About 1,3-dihydro-2-benzofuran-5-yl-(4-fluoro-2-iodophenyl)methanone

1,3-dihydro-2-benzofuran-5-yl-(4-fluoro-2-iodophenyl)methanone (PubChem CID 114029198) has the molecular formula C15H10FIO2 and a molecular weight of 368.15 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-(4-fluoro-2-iodophenyl)methanone.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-(4-fluoro-2-iodophenyl)methanone
PubChem CID114029198
Molecular FormulaC15H10FIO2
Molecular Weight368.15 g/mol
Exact Mass367.97
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-(4-fluoro-2-iodophenyl)methanone
SMILESO=C(c1ccc2c(c1)COC2)c1ccc(F)cc1I
InChIInChI=1S/C15H10FIO2/c16-12-3-4-13(14(17)6-12)15(18)9-1-2-10-7-19-8-11(10)5-9/h1-6H,7-8H2
InChIKeyMEYAPACHGBMHFC-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.15
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,3-dihydro-2-benzofuran-5-yl-(2,4,6-trifluorophenyl)methanone
CID 63731843
(2,3-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 55145593
2,3-dihydro-1H-inden-5-yl-(4-fluoro-2-methylphenyl)methanone
CID 113399939
1,3-dihydro-2-benzofuran-5-yl-(2-methylphenyl)methanone
CID 63021429
(4-fluoro-3,5-dimethylphenyl)-(4-fluoro-2-iodophenyl)methanone
CID 114029200
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanone
CID 63019690
N-(2-cyano-4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 79954013
(2,6-difluoro-3-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 82814438
1,3-dihydro-2-benzofuran-5-yl-(2,3-dimethylphenyl)methanone
CID 63019871
(3-amino-2-bromophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 113367216
(4-fluoro-2-iodophenyl)-(3-methoxyphenyl)methanone
CID 114029861
2-(2,5-difluorophenoxy)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
CID 75383989

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(4-fluoro-2-iodophenyl)methanone?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(4-fluoro-2-iodophenyl)methanone (CID 114029198) is 1,3-dihydro-2-benzofuran-5-yl-(4-fluoro-2-iodophenyl)methanone.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-(4-fluoro-2-iodophenyl)methanone?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-(4-fluoro-2-iodophenyl)methanone is O=C(c1ccc2c(c1)COC2)c1ccc(F)cc1I.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-(4-fluoro-2-iodophenyl)methanone?
The InChIKey is MEYAPACHGBMHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FIO2/c16-12-3-4-13(14(17)6-12)15(18)9-1-2-10-7-19-8-11(10)5-9/h1-6H,7-8H2.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-(4-fluoro-2-iodophenyl)methanone?
1,3-dihydro-2-benzofuran-5-yl-(4-fluoro-2-iodophenyl)methanone has a molecular weight of 368.15 g/mol, XLogP of 3.69, 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-(4-fluoro-2-iodophenyl)methanone is sourced from PubChem (CID 114029198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).