4-(oxiran-2-yl)butane-1-sulfonyl fluoride

C6H11FO3S — CID 58637697

IUPAC4-(oxiran-2-yl)butane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCCC1CO1
InChIInChI=1S/C6H11FO3S/c7-11(8,9)4-2-1-3-6-5-10-6/h6H,1-5H2
InChIKeySFCSCYBPMLHOFP-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.85
Rot. Bonds5

About 4-(oxiran-2-yl)butane-1-sulfonyl fluoride

4-(oxiran-2-yl)butane-1-sulfonyl fluoride (PubChem CID 58637697) has the molecular formula C6H11FO3S and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-(oxiran-2-yl)butane-1-sulfonyl fluoride.

Molecular Properties

Compound Name4-(oxiran-2-yl)butane-1-sulfonyl fluoride
PubChem CID58637697
Molecular FormulaC6H11FO3S
Molecular Weight182.22 g/mol
Exact Mass182.04
IUPAC Name4-(oxiran-2-yl)butane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCCC1CO1
InChIInChI=1S/C6H11FO3S/c7-11(8,9)4-2-1-3-6-5-10-6/h6H,1-5H2
InChIKeySFCSCYBPMLHOFP-UHFFFAOYSA-N
XLogP0.85
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 4-(oxiran-2-yl)butane-1-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-(oxiran-2-yl)butane-1-sulfonyl fluoride?
The IUPAC name of 4-(oxiran-2-yl)butane-1-sulfonyl fluoride (CID 58637697) is 4-(oxiran-2-yl)butane-1-sulfonyl fluoride.
What is the SMILES notation for 4-(oxiran-2-yl)butane-1-sulfonyl fluoride?
The canonical SMILES for 4-(oxiran-2-yl)butane-1-sulfonyl fluoride is O=S(=O)(F)CCCCC1CO1.
What is the InChIKey of 4-(oxiran-2-yl)butane-1-sulfonyl fluoride?
The InChIKey is SFCSCYBPMLHOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO3S/c7-11(8,9)4-2-1-3-6-5-10-6/h6H,1-5H2.
What are the key properties of 4-(oxiran-2-yl)butane-1-sulfonyl fluoride?
4-(oxiran-2-yl)butane-1-sulfonyl fluoride has a molecular weight of 182.22 g/mol, XLogP of 0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxiran-2-yl)butane-1-sulfonyl fluoride is sourced from PubChem (CID 58637697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).