(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)methanesulfonyl chloride

C9H8ClFO3S — CID 117380021

IUPAC(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc2c(c1F)CCO2
InChIInChI=1S/C9H8ClFO3S/c10-15(12,13)5-6-1-2-8-7(9(6)11)3-4-14-8/h1-2H,3-5H2
InChIKeyLRJLTCFESNNHBO-UHFFFAOYSA-N
MW250.68 g/mol
LogP1.83
Rot. Bonds2

About (4-fluoro-2,3-dihydro-1-benzofuran-5-yl)methanesulfonyl chloride

(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)methanesulfonyl chloride (PubChem CID 117380021) has the molecular formula C9H8ClFO3S and a molecular weight of 250.68 g/mol. Its IUPAC name is (4-fluoro-2,3-dihydro-1-benzofuran-5-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)methanesulfonyl chloride
PubChem CID117380021
Molecular FormulaC9H8ClFO3S
Molecular Weight250.68 g/mol
Exact Mass249.99
IUPAC Name(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc2c(c1F)CCO2
InChIInChI=1S/C9H8ClFO3S/c10-15(12,13)5-6-1-2-8-7(9(6)11)3-4-14-8/h1-2H,3-5H2
InChIKeyLRJLTCFESNNHBO-UHFFFAOYSA-N
XLogP1.83
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 82374515
3-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropanoic acid
CID 117348785
2-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)ethanesulfonyl chloride
CID 84812515
(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)methanesulfonyl chloride
CID 84807123
4-fluoro-2,3-dihydro-1-benzofuran-5-amine
CID 82373061
4-fluoro-5-iodo-2,3-dihydro-1-benzofuran
CID 176929193
(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanesulfonyl chloride
CID 117450623
(3-chloro-2,4-difluorophenyl)methanesulfonyl chloride
CID 84806660
[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanesulfonyl chloride
CID 117472649
5-fluoro-2,3-dihydro-1-benzofuran-4-carbaldehyde
CID 117273159
2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)acetic acid
CID 117285919
1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-2-one
CID 117284369

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2,3-dihydro-1-benzofuran-5-yl)methanesulfonyl chloride?
The IUPAC name of (4-fluoro-2,3-dihydro-1-benzofuran-5-yl)methanesulfonyl chloride (CID 117380021) is (4-fluoro-2,3-dihydro-1-benzofuran-5-yl)methanesulfonyl chloride.
What is the SMILES notation for (4-fluoro-2,3-dihydro-1-benzofuran-5-yl)methanesulfonyl chloride?
The canonical SMILES for (4-fluoro-2,3-dihydro-1-benzofuran-5-yl)methanesulfonyl chloride is O=S(=O)(Cl)Cc1ccc2c(c1F)CCO2.
What is the InChIKey of (4-fluoro-2,3-dihydro-1-benzofuran-5-yl)methanesulfonyl chloride?
The InChIKey is LRJLTCFESNNHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO3S/c10-15(12,13)5-6-1-2-8-7(9(6)11)3-4-14-8/h1-2H,3-5H2.
What are the key properties of (4-fluoro-2,3-dihydro-1-benzofuran-5-yl)methanesulfonyl chloride?
(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)methanesulfonyl chloride has a molecular weight of 250.68 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2,3-dihydro-1-benzofuran-5-yl)methanesulfonyl chloride is sourced from PubChem (CID 117380021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).