8-methoxy-2H-chromene-3-sulfonyl fluoride

C10H9FO4S — CID 165460189

IUPAC8-methoxy-2H-chromene-3-sulfonyl fluoride
SMILESCOc1cccc2c1OCC(S(=O)(=O)F)=C2
InChIInChI=1S/C10H9FO4S/c1-14-9-4-2-3-7-5-8(16(11,12)13)6-15-10(7)9/h2-5H,6H2,1H3
InChIKeyGYBZCNPVWJTJDG-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.73
Rot. Bonds2

About 8-methoxy-2H-chromene-3-sulfonyl fluoride

8-methoxy-2H-chromene-3-sulfonyl fluoride (PubChem CID 165460189) has the molecular formula C10H9FO4S and a molecular weight of 244.24 g/mol. Its IUPAC name is 8-methoxy-2H-chromene-3-sulfonyl fluoride.

Molecular Properties

Compound Name8-methoxy-2H-chromene-3-sulfonyl fluoride
PubChem CID165460189
Molecular FormulaC10H9FO4S
Molecular Weight244.24 g/mol
Exact Mass244.02
IUPAC Name8-methoxy-2H-chromene-3-sulfonyl fluoride
SMILESCOc1cccc2c1OCC(S(=O)(=O)F)=C2
InChIInChI=1S/C10H9FO4S/c1-14-9-4-2-3-7-5-8(16(11,12)13)6-15-10(7)9/h2-5H,6H2,1H3
InChIKeyGYBZCNPVWJTJDG-UHFFFAOYSA-N
XLogP1.73
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2H-chromene-3-sulfonyl fluoride?
The IUPAC name of 8-methoxy-2H-chromene-3-sulfonyl fluoride (CID 165460189) is 8-methoxy-2H-chromene-3-sulfonyl fluoride.
What is the SMILES notation for 8-methoxy-2H-chromene-3-sulfonyl fluoride?
The canonical SMILES for 8-methoxy-2H-chromene-3-sulfonyl fluoride is COc1cccc2c1OCC(S(=O)(=O)F)=C2.
What is the InChIKey of 8-methoxy-2H-chromene-3-sulfonyl fluoride?
The InChIKey is GYBZCNPVWJTJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO4S/c1-14-9-4-2-3-7-5-8(16(11,12)13)6-15-10(7)9/h2-5H,6H2,1H3.
What are the key properties of 8-methoxy-2H-chromene-3-sulfonyl fluoride?
8-methoxy-2H-chromene-3-sulfonyl fluoride has a molecular weight of 244.24 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2H-chromene-3-sulfonyl fluoride is sourced from PubChem (CID 165460189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).