6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl chloride

C9H8ClFO3S — CID 168797546

IUPAC6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
SMILESCC1COc2cc(F)c(S(=O)(=O)Cl)cc21
InChIInChI=1S/C9H8ClFO3S/c1-5-4-14-8-3-7(11)9(2-6(5)8)15(10,12)13/h2-3,5H,4H2,1H3
InChIKeyGOZALHQPQRZSMX-UHFFFAOYSA-N
MW250.68 g/mol
LogP2.25
Rot. Bonds1

About 6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl chloride

6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl chloride (PubChem CID 168797546) has the molecular formula C9H8ClFO3S and a molecular weight of 250.68 g/mol. Its IUPAC name is 6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl chloride.

Molecular Properties

Compound Name6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
PubChem CID168797546
Molecular FormulaC9H8ClFO3S
Molecular Weight250.68 g/mol
Exact Mass249.99
IUPAC Name6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
SMILESCC1COc2cc(F)c(S(=O)(=O)Cl)cc21
InChIInChI=1S/C9H8ClFO3S/c1-5-4-14-8-3-7(11)9(2-6(5)8)15(10,12)13/h2-3,5H,4H2,1H3
InChIKeyGOZALHQPQRZSMX-UHFFFAOYSA-N
XLogP2.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl chloride?
The IUPAC name of 6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl chloride (CID 168797546) is 6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl chloride.
What is the SMILES notation for 6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl chloride?
The canonical SMILES for 6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl chloride is CC1COc2cc(F)c(S(=O)(=O)Cl)cc21.
What is the InChIKey of 6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl chloride?
The InChIKey is GOZALHQPQRZSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO3S/c1-5-4-14-8-3-7(11)9(2-6(5)8)15(10,12)13/h2-3,5H,4H2,1H3.
What are the key properties of 6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl chloride?
6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl chloride has a molecular weight of 250.68 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl chloride is sourced from PubChem (CID 168797546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).