6-fluoro-3,4-dihydro-2H-chromene-8-sulfonyl chloride

C9H8ClFO3S — CID 84707284

IUPAC6-fluoro-3,4-dihydro-2H-chromene-8-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)cc2c1OCCC2
InChIInChI=1S/C9H8ClFO3S/c10-15(12,13)8-5-7(11)4-6-2-1-3-14-9(6)8/h4-5H,1-3H2
InChIKeyCSWZGAWFERSCPT-UHFFFAOYSA-N
MW250.68 g/mol
LogP2.08
Rot. Bonds1

About 6-fluoro-3,4-dihydro-2H-chromene-8-sulfonyl chloride

6-fluoro-3,4-dihydro-2H-chromene-8-sulfonyl chloride (PubChem CID 84707284) has the molecular formula C9H8ClFO3S and a molecular weight of 250.68 g/mol. Its IUPAC name is 6-fluoro-3,4-dihydro-2H-chromene-8-sulfonyl chloride.

Molecular Properties

Compound Name6-fluoro-3,4-dihydro-2H-chromene-8-sulfonyl chloride
PubChem CID84707284
Molecular FormulaC9H8ClFO3S
Molecular Weight250.68 g/mol
Exact Mass249.99
IUPAC Name6-fluoro-3,4-dihydro-2H-chromene-8-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)cc2c1OCCC2
InChIInChI=1S/C9H8ClFO3S/c10-15(12,13)8-5-7(11)4-6-2-1-3-14-9(6)8/h4-5H,1-3H2
InChIKeyCSWZGAWFERSCPT-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,4-dihydro-2H-chromene-8-sulfonyl chloride?
The IUPAC name of 6-fluoro-3,4-dihydro-2H-chromene-8-sulfonyl chloride (CID 84707284) is 6-fluoro-3,4-dihydro-2H-chromene-8-sulfonyl chloride.
What is the SMILES notation for 6-fluoro-3,4-dihydro-2H-chromene-8-sulfonyl chloride?
The canonical SMILES for 6-fluoro-3,4-dihydro-2H-chromene-8-sulfonyl chloride is O=S(=O)(Cl)c1cc(F)cc2c1OCCC2.
What is the InChIKey of 6-fluoro-3,4-dihydro-2H-chromene-8-sulfonyl chloride?
The InChIKey is CSWZGAWFERSCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO3S/c10-15(12,13)8-5-7(11)4-6-2-1-3-14-9(6)8/h4-5H,1-3H2.
What are the key properties of 6-fluoro-3,4-dihydro-2H-chromene-8-sulfonyl chloride?
6-fluoro-3,4-dihydro-2H-chromene-8-sulfonyl chloride has a molecular weight of 250.68 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,4-dihydro-2H-chromene-8-sulfonyl chloride is sourced from PubChem (CID 84707284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).