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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Related Compounds

(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 84769578
(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)methanesulfonyl chloride
CID 117380021
3-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 84791240
3-[(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
CID 117385746
2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
CID 84782675
(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanesulfonyl chloride
CID 117450623
(3S,4R)-4-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)-3-methylpyrrolidin-2-one
CID 126653349
1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)piperazine
CID 84800463
1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutan-1-amine
CID 117322946
2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 82374515
2-(2-fluoro-6-hydroxy-4-methoxyphenyl)ethanesulfonyl chloride
CID 84808465
2-amino-1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 84792628

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).