2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)ethanesulfonyl chloride

C10H9ClF2O3S — CID 84812515

IUPAC2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCc1c(F)cc2c(c1F)CCO2
InChIInChI=1S/C10H9ClF2O3S/c11-17(14,15)4-2-6-8(12)5-9-7(10(6)13)1-3-16-9/h5H,1-4H2
InChIKeySWSABGIVIKRDPC-UHFFFAOYSA-N
MW282.69 g/mol
LogP2.01
Rot. Bonds3

About 2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)ethanesulfonyl chloride

2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)ethanesulfonyl chloride (PubChem CID 84812515) has the molecular formula C10H9ClF2O3S and a molecular weight of 282.69 g/mol. Its IUPAC name is 2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)ethanesulfonyl chloride
PubChem CID84812515
Molecular FormulaC10H9ClF2O3S
Molecular Weight282.69 g/mol
Exact Mass281.99
IUPAC Name2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCc1c(F)cc2c(c1F)CCO2
InChIInChI=1S/C10H9ClF2O3S/c11-17(14,15)4-2-6-8(12)5-9-7(10(6)13)1-3-16-9/h5H,1-4H2
InChIKeySWSABGIVIKRDPC-UHFFFAOYSA-N
XLogP2.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)ethanesulfonyl chloride?
The IUPAC name of 2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)ethanesulfonyl chloride (CID 84812515) is 2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)ethanesulfonyl chloride?
The canonical SMILES for 2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)ethanesulfonyl chloride is O=S(=O)(Cl)CCc1c(F)cc2c(c1F)CCO2.
What is the InChIKey of 2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)ethanesulfonyl chloride?
The InChIKey is SWSABGIVIKRDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2O3S/c11-17(14,15)4-2-6-8(12)5-9-7(10(6)13)1-3-16-9/h5H,1-4H2.
What are the key properties of 2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)ethanesulfonyl chloride?
2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)ethanesulfonyl chloride has a molecular weight of 282.69 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)ethanesulfonyl chloride is sourced from PubChem (CID 84812515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).