4,5,6,7-tetrahydro-1-benzofuran-2-sulfonyl fluoride

C8H9FO3S — CID 146075348

IUPAC4,5,6,7-tetrahydro-1-benzofuran-2-sulfonyl fluoride
SMILESO=S(=O)(F)c1cc2c(o1)CCCC2
InChIInChI=1S/C8H9FO3S/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h5H,1-4H2
InChIKeyOLNATVGCUJEHMT-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.82
Rot. Bonds1

About 4,5,6,7-tetrahydro-1-benzofuran-2-sulfonyl fluoride

4,5,6,7-tetrahydro-1-benzofuran-2-sulfonyl fluoride (PubChem CID 146075348) has the molecular formula C8H9FO3S and a molecular weight of 204.22 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1-benzofuran-2-sulfonyl fluoride.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1-benzofuran-2-sulfonyl fluoride
PubChem CID146075348
Molecular FormulaC8H9FO3S
Molecular Weight204.22 g/mol
Exact Mass204.03
IUPAC Name4,5,6,7-tetrahydro-1-benzofuran-2-sulfonyl fluoride
SMILESO=S(=O)(F)c1cc2c(o1)CCCC2
InChIInChI=1S/C8H9FO3S/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h5H,1-4H2
InChIKeyOLNATVGCUJEHMT-UHFFFAOYSA-N
XLogP1.82
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,5,6,7-tetrahydro-1-benzofuran-2-sulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1-benzofuran-2-sulfonyl fluoride?
The IUPAC name of 4,5,6,7-tetrahydro-1-benzofuran-2-sulfonyl fluoride (CID 146075348) is 4,5,6,7-tetrahydro-1-benzofuran-2-sulfonyl fluoride.
What is the SMILES notation for 4,5,6,7-tetrahydro-1-benzofuran-2-sulfonyl fluoride?
The canonical SMILES for 4,5,6,7-tetrahydro-1-benzofuran-2-sulfonyl fluoride is O=S(=O)(F)c1cc2c(o1)CCCC2.
What is the InChIKey of 4,5,6,7-tetrahydro-1-benzofuran-2-sulfonyl fluoride?
The InChIKey is OLNATVGCUJEHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO3S/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h5H,1-4H2.
What are the key properties of 4,5,6,7-tetrahydro-1-benzofuran-2-sulfonyl fluoride?
4,5,6,7-tetrahydro-1-benzofuran-2-sulfonyl fluoride has a molecular weight of 204.22 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1-benzofuran-2-sulfonyl fluoride is sourced from PubChem (CID 146075348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).