2-(4-fluorophenyl)-5-iodo-3-[(R)-methylsulfinyl]-1-benzofuran

C15H10FIO2S — CID 139078206

IUPAC2-(4-fluorophenyl)-5-iodo-3-[(R)-methylsulfinyl]-1-benzofuran
SMILESC[S@@](=O)c1c(-c2ccc(F)cc2)oc2ccc(I)cc12
InChIInChI=1S/C15H10FIO2S/c1-20(18)15-12-8-11(17)6-7-13(12)19-14(15)9-2-4-10(16)5-3-9/h2-8H,1H3/t20-/m1/s1
InChIKeyOTYIUIIQXROFMD-HXUWFJFHSA-N
MW400.21 g/mol
LogP4.58
Rot. Bonds2

About 2-(4-fluorophenyl)-5-iodo-3-[(R)-methylsulfinyl]-1-benzofuran

2-(4-fluorophenyl)-5-iodo-3-[(R)-methylsulfinyl]-1-benzofuran (PubChem CID 139078206) has the molecular formula C15H10FIO2S and a molecular weight of 400.21 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-iodo-3-[(R)-methylsulfinyl]-1-benzofuran.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-iodo-3-[(R)-methylsulfinyl]-1-benzofuran
PubChem CID139078206
Molecular FormulaC15H10FIO2S
Molecular Weight400.21 g/mol
Exact Mass399.94
IUPAC Name2-(4-fluorophenyl)-5-iodo-3-[(R)-methylsulfinyl]-1-benzofuran
SMILESC[S@@](=O)c1c(-c2ccc(F)cc2)oc2ccc(I)cc12
InChIInChI=1S/C15H10FIO2S/c1-20(18)15-12-8-11(17)6-7-13(12)19-14(15)9-2-4-10(16)5-3-9/h2-8H,1H3/t20-/m1/s1
InChIKeyOTYIUIIQXROFMD-HXUWFJFHSA-N
XLogP4.58
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.21
LogP ≤ 54.58
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

2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran
CID 90888389
5-fluoro-2-(3-fluorophenyl)-3-[(R)-methylsulfinyl]-1-benzofuran
CID 139087024
3-[(S)-(4-fluorophenyl)sulfinyl]-5-iodo-2-methyl-1-benzofuran
CID 139079051
2-(4-bromophenyl)-5-methyl-3-[(R)-methylsulfinyl]-1-benzofuran
CID 139072598
5-iodo-7-methyl-2-(4-methylphenyl)-3-[(S)-methylsulfinyl]-1-benzofuran
CID 139086289
2-(4-fluorophenyl)-5-iodo-3-phenylsulfanyl-1-benzofuran
CID 123827188
2-(4-chlorophenyl)-3-[(S)-ethylsulfinyl]-5-fluoro-1-benzofuran
CID 139078549
5-cyclohexyl-3-[(S)-methylsulfinyl]-2-phenyl-1-benzofuran
CID 139080616
5-cyclohexyl-2-(4-fluorophenyl)-3-[(R)-phenylsulfinyl]-1-benzofuran
CID 139085974
ethyl 2-(5-iodo-3-methylsulfinyl-1-benzofuran-2-yl)acetate
CID 91427944
7-[(R)-methylsulfinyl]-6-phenylfuro[2,3-f][1,3]benzodioxole
CID 139071244
3-(4-fluorophenyl)sulfonyl-5-iodo-2-methyl-1-benzofuran
CID 90874732

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-iodo-3-[(R)-methylsulfinyl]-1-benzofuran?
The IUPAC name of 2-(4-fluorophenyl)-5-iodo-3-[(R)-methylsulfinyl]-1-benzofuran (CID 139078206) is 2-(4-fluorophenyl)-5-iodo-3-[(R)-methylsulfinyl]-1-benzofuran.
What is the SMILES notation for 2-(4-fluorophenyl)-5-iodo-3-[(R)-methylsulfinyl]-1-benzofuran?
The canonical SMILES for 2-(4-fluorophenyl)-5-iodo-3-[(R)-methylsulfinyl]-1-benzofuran is C[S@@](=O)c1c(-c2ccc(F)cc2)oc2ccc(I)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-5-iodo-3-[(R)-methylsulfinyl]-1-benzofuran?
The InChIKey is OTYIUIIQXROFMD-HXUWFJFHSA-N. The full InChI is InChI=1S/C15H10FIO2S/c1-20(18)15-12-8-11(17)6-7-13(12)19-14(15)9-2-4-10(16)5-3-9/h2-8H,1H3/t20-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-5-iodo-3-[(R)-methylsulfinyl]-1-benzofuran?
2-(4-fluorophenyl)-5-iodo-3-[(R)-methylsulfinyl]-1-benzofuran has a molecular weight of 400.21 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-iodo-3-[(R)-methylsulfinyl]-1-benzofuran is sourced from PubChem (CID 139078206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).