2-oxo-5,6,7,8-tetrahydrochromene-3-sulfonyl fluoride

C9H9FO4S — CID 165459780

IUPAC2-oxo-5,6,7,8-tetrahydrochromene-3-sulfonyl fluoride
SMILESO=c1oc2c(cc1S(=O)(=O)F)CCCC2
InChIInChI=1S/C9H9FO4S/c10-15(12,13)8-5-6-3-1-2-4-7(6)14-9(8)11/h5H,1-4H2
InChIKeyBFPWAPDDLWCEEK-UHFFFAOYSA-N
MW232.23 g/mol
LogP1.18
Rot. Bonds1

About 2-oxo-5,6,7,8-tetrahydrochromene-3-sulfonyl fluoride

2-oxo-5,6,7,8-tetrahydrochromene-3-sulfonyl fluoride (PubChem CID 165459780) has the molecular formula C9H9FO4S and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-oxo-5,6,7,8-tetrahydrochromene-3-sulfonyl fluoride.

Molecular Properties

Compound Name2-oxo-5,6,7,8-tetrahydrochromene-3-sulfonyl fluoride
PubChem CID165459780
Molecular FormulaC9H9FO4S
Molecular Weight232.23 g/mol
Exact Mass232.02
IUPAC Name2-oxo-5,6,7,8-tetrahydrochromene-3-sulfonyl fluoride
SMILESO=c1oc2c(cc1S(=O)(=O)F)CCCC2
InChIInChI=1S/C9H9FO4S/c10-15(12,13)8-5-6-3-1-2-4-7(6)14-9(8)11/h5H,1-4H2
InChIKeyBFPWAPDDLWCEEK-UHFFFAOYSA-N
XLogP1.18
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-5,6,7,8-tetrahydrochromene-3-sulfonyl fluoride?
The IUPAC name of 2-oxo-5,6,7,8-tetrahydrochromene-3-sulfonyl fluoride (CID 165459780) is 2-oxo-5,6,7,8-tetrahydrochromene-3-sulfonyl fluoride.
What is the SMILES notation for 2-oxo-5,6,7,8-tetrahydrochromene-3-sulfonyl fluoride?
The canonical SMILES for 2-oxo-5,6,7,8-tetrahydrochromene-3-sulfonyl fluoride is O=c1oc2c(cc1S(=O)(=O)F)CCCC2.
What is the InChIKey of 2-oxo-5,6,7,8-tetrahydrochromene-3-sulfonyl fluoride?
The InChIKey is BFPWAPDDLWCEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO4S/c10-15(12,13)8-5-6-3-1-2-4-7(6)14-9(8)11/h5H,1-4H2.
What are the key properties of 2-oxo-5,6,7,8-tetrahydrochromene-3-sulfonyl fluoride?
2-oxo-5,6,7,8-tetrahydrochromene-3-sulfonyl fluoride has a molecular weight of 232.23 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5,6,7,8-tetrahydrochromene-3-sulfonyl fluoride is sourced from PubChem (CID 165459780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).