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

C15H10F2O2S — CID 139087024

IUPAC5-fluoro-2-(3-fluorophenyl)-3-[(R)-methylsulfinyl]-1-benzofuran
SMILESC[S@@](=O)c1c(-c2cccc(F)c2)oc2ccc(F)cc12
InChIInChI=1S/C15H10F2O2S/c1-20(18)15-12-8-11(17)5-6-13(12)19-14(15)9-3-2-4-10(16)7-9/h2-8H,1H3/t20-/m1/s1
InChIKeyZBOAXWBLCQIOMN-HXUWFJFHSA-N
MW292.31 g/mol
LogP4.12
Rot. Bonds2

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

5-fluoro-2-(3-fluorophenyl)-3-[(R)-methylsulfinyl]-1-benzofuran (PubChem CID 139087024) has the molecular formula C15H10F2O2S and a molecular weight of 292.31 g/mol. Its IUPAC name is 5-fluoro-2-(3-fluorophenyl)-3-[(R)-methylsulfinyl]-1-benzofuran.

Molecular Properties

Compound Name5-fluoro-2-(3-fluorophenyl)-3-[(R)-methylsulfinyl]-1-benzofuran
PubChem CID139087024
Molecular FormulaC15H10F2O2S
Molecular Weight292.31 g/mol
Exact Mass292.04
IUPAC Name5-fluoro-2-(3-fluorophenyl)-3-[(R)-methylsulfinyl]-1-benzofuran
SMILESC[S@@](=O)c1c(-c2cccc(F)c2)oc2ccc(F)cc12
InChIInChI=1S/C15H10F2O2S/c1-20(18)15-12-8-11(17)5-6-13(12)19-14(15)9-3-2-4-10(16)7-9/h2-8H,1H3/t20-/m1/s1
InChIKeyZBOAXWBLCQIOMN-HXUWFJFHSA-N
XLogP4.12
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-5-iodo-3-[(R)-methylsulfinyl]-1-benzofuran
CID 139078206
2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran
CID 90888389
2-(4-chlorophenyl)-3-[(S)-ethylsulfinyl]-5-fluoro-1-benzofuran
CID 139078549
5-cyclohexyl-3-[(S)-methylsulfinyl]-2-phenyl-1-benzofuran
CID 139080616
methyl 2-[5-fluoro-3-[(S)-methylsulfinyl]-1-benzofuran-2-yl]acetate
CID 139077261
5-bromo-2-(3-fluorophenyl)-3-methylsulfanyl-1-benzofuran
CID 123493237
7-[(R)-methylsulfinyl]-6-phenylfuro[2,3-f][1,3]benzodioxole
CID 139071244
2-(3-fluorophenyl)-3-propan-2-ylchromen-4-one
CID 122542428
3-ethylsulfinyl-2-(3-fluorophenyl)-5-iodo-7-methyl-1-benzofuran
CID 123632211
2-[4-[4-(3-fluorophenyl)phenyl]phenyl]dibenzofuran
CID 171056558
5-cyclohexyl-2-(4-fluorophenyl)-3-[(R)-phenylsulfinyl]-1-benzofuran
CID 139085974
5-fluoro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 142773376

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-fluorophenyl)-3-[(R)-methylsulfinyl]-1-benzofuran?
The IUPAC name of 5-fluoro-2-(3-fluorophenyl)-3-[(R)-methylsulfinyl]-1-benzofuran (CID 139087024) is 5-fluoro-2-(3-fluorophenyl)-3-[(R)-methylsulfinyl]-1-benzofuran.
What is the SMILES notation for 5-fluoro-2-(3-fluorophenyl)-3-[(R)-methylsulfinyl]-1-benzofuran?
The canonical SMILES for 5-fluoro-2-(3-fluorophenyl)-3-[(R)-methylsulfinyl]-1-benzofuran is C[S@@](=O)c1c(-c2cccc(F)c2)oc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-2-(3-fluorophenyl)-3-[(R)-methylsulfinyl]-1-benzofuran?
The InChIKey is ZBOAXWBLCQIOMN-HXUWFJFHSA-N. The full InChI is InChI=1S/C15H10F2O2S/c1-20(18)15-12-8-11(17)5-6-13(12)19-14(15)9-3-2-4-10(16)7-9/h2-8H,1H3/t20-/m1/s1.
What are the key properties of 5-fluoro-2-(3-fluorophenyl)-3-[(R)-methylsulfinyl]-1-benzofuran?
5-fluoro-2-(3-fluorophenyl)-3-[(R)-methylsulfinyl]-1-benzofuran has a molecular weight of 292.31 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-fluorophenyl)-3-[(R)-methylsulfinyl]-1-benzofuran is sourced from PubChem (CID 139087024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).