4-fluoro-2-methylsulfonyl-1-benzofuran

C9H7FO3S — CID 118288690

IUPAC4-fluoro-2-methylsulfonyl-1-benzofuran
SMILESCS(=O)(=O)c1cc2c(F)cccc2o1
InChIInChI=1S/C9H7FO3S/c1-14(11,12)9-5-6-7(10)3-2-4-8(6)13-9/h2-5H,1H3
InChIKeyLXALPXNSDNREIL-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.98
Rot. Bonds1

About 4-fluoro-2-methylsulfonyl-1-benzofuran

4-fluoro-2-methylsulfonyl-1-benzofuran (PubChem CID 118288690) has the molecular formula C9H7FO3S and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-fluoro-2-methylsulfonyl-1-benzofuran.

Molecular Properties

Compound Name4-fluoro-2-methylsulfonyl-1-benzofuran
PubChem CID118288690
Molecular FormulaC9H7FO3S
Molecular Weight214.22 g/mol
Exact Mass214.01
IUPAC Name4-fluoro-2-methylsulfonyl-1-benzofuran
SMILESCS(=O)(=O)c1cc2c(F)cccc2o1
InChIInChI=1S/C9H7FO3S/c1-14(11,12)9-5-6-7(10)3-2-4-8(6)13-9/h2-5H,1H3
InChIKeyLXALPXNSDNREIL-UHFFFAOYSA-N
XLogP1.98
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methylsulfonyl-1-benzofuran?
The IUPAC name of 4-fluoro-2-methylsulfonyl-1-benzofuran (CID 118288690) is 4-fluoro-2-methylsulfonyl-1-benzofuran.
What is the SMILES notation for 4-fluoro-2-methylsulfonyl-1-benzofuran?
The canonical SMILES for 4-fluoro-2-methylsulfonyl-1-benzofuran is CS(=O)(=O)c1cc2c(F)cccc2o1.
What is the InChIKey of 4-fluoro-2-methylsulfonyl-1-benzofuran?
The InChIKey is LXALPXNSDNREIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO3S/c1-14(11,12)9-5-6-7(10)3-2-4-8(6)13-9/h2-5H,1H3.
What are the key properties of 4-fluoro-2-methylsulfonyl-1-benzofuran?
4-fluoro-2-methylsulfonyl-1-benzofuran has a molecular weight of 214.22 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methylsulfonyl-1-benzofuran is sourced from PubChem (CID 118288690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).