(7-fluoro-1-benzofuran-2-yl)-(5-iodothiophen-3-yl)methanone

C13H6FIO2S — CID 115810047

IUPAC(7-fluoro-1-benzofuran-2-yl)-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)c1cc2cccc(F)c2o1
InChIInChI=1S/C13H6FIO2S/c14-9-3-1-2-7-4-10(17-13(7)9)12(16)8-5-11(15)18-6-8/h1-6H
InChIKeyWLLHYLPONWAIEU-UHFFFAOYSA-N
MW372.16 g/mol
LogP4.47
Rot. Bonds2

About (7-fluoro-1-benzofuran-2-yl)-(5-iodothiophen-3-yl)methanone

(7-fluoro-1-benzofuran-2-yl)-(5-iodothiophen-3-yl)methanone (PubChem CID 115810047) has the molecular formula C13H6FIO2S and a molecular weight of 372.16 g/mol. Its IUPAC name is (7-fluoro-1-benzofuran-2-yl)-(5-iodothiophen-3-yl)methanone.

Molecular Properties

Compound Name(7-fluoro-1-benzofuran-2-yl)-(5-iodothiophen-3-yl)methanone
PubChem CID115810047
Molecular FormulaC13H6FIO2S
Molecular Weight372.16 g/mol
Exact Mass371.91
IUPAC Name(7-fluoro-1-benzofuran-2-yl)-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)c1cc2cccc(F)c2o1
InChIInChI=1S/C13H6FIO2S/c14-9-3-1-2-7-4-10(17-13(7)9)12(16)8-5-11(15)18-6-8/h1-6H
InChIKeyWLLHYLPONWAIEU-UHFFFAOYSA-N
XLogP4.47
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.16
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3,5-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957454
(2,6-difluorophenyl)-(5-iodothiophen-3-yl)methanone
CID 114972960
(3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957426
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
(7-fluoro-1-benzofuran-2-yl)-(4-nitrophenyl)methanone
CID 115957451
(7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanone
CID 114725192
(3-bromo-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809878
(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809899
(2-bromo-3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 107538168
(5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809828
(7-fluoro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone
CID 112614555
2,3-dihydro-1H-indol-5-yl-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114736267

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(5-iodothiophen-3-yl)methanone?
The IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(5-iodothiophen-3-yl)methanone (CID 115810047) is (7-fluoro-1-benzofuran-2-yl)-(5-iodothiophen-3-yl)methanone.
What is the SMILES notation for (7-fluoro-1-benzofuran-2-yl)-(5-iodothiophen-3-yl)methanone?
The canonical SMILES for (7-fluoro-1-benzofuran-2-yl)-(5-iodothiophen-3-yl)methanone is O=C(c1csc(I)c1)c1cc2cccc(F)c2o1.
What is the InChIKey of (7-fluoro-1-benzofuran-2-yl)-(5-iodothiophen-3-yl)methanone?
The InChIKey is WLLHYLPONWAIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6FIO2S/c14-9-3-1-2-7-4-10(17-13(7)9)12(16)8-5-11(15)18-6-8/h1-6H.
What are the key properties of (7-fluoro-1-benzofuran-2-yl)-(5-iodothiophen-3-yl)methanone?
(7-fluoro-1-benzofuran-2-yl)-(5-iodothiophen-3-yl)methanone has a molecular weight of 372.16 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1-benzofuran-2-yl)-(5-iodothiophen-3-yl)methanone is sourced from PubChem (CID 115810047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).