oxan-4-ylmethanesulfonyl fluoride

C6H11FO3S — CID 56828043

IUPACoxan-4-ylmethanesulfonyl fluoride
SMILESO=S(=O)(F)CC1CCOCC1
InChIInChI=1S/C6H11FO3S/c7-11(8,9)5-6-1-3-10-4-2-6/h6H,1-5H2
InChIKeyDWTWFCFQDGUAGQ-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.71
Rot. Bonds2

About oxan-4-ylmethanesulfonyl fluoride

oxan-4-ylmethanesulfonyl fluoride (PubChem CID 56828043) has the molecular formula C6H11FO3S and a molecular weight of 182.22 g/mol. Its IUPAC name is oxan-4-ylmethanesulfonyl fluoride.

Molecular Properties

Compound Nameoxan-4-ylmethanesulfonyl fluoride
PubChem CID56828043
Molecular FormulaC6H11FO3S
Molecular Weight182.22 g/mol
Exact Mass182.04
IUPAC Nameoxan-4-ylmethanesulfonyl fluoride
SMILESO=S(=O)(F)CC1CCOCC1
InChIInChI=1S/C6H11FO3S/c7-11(8,9)5-6-1-3-10-4-2-6/h6H,1-5H2
InChIKeyDWTWFCFQDGUAGQ-UHFFFAOYSA-N
XLogP0.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze oxan-4-ylmethanesulfonyl 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 oxan-4-ylmethanesulfonyl fluoride?
The IUPAC name of oxan-4-ylmethanesulfonyl fluoride (CID 56828043) is oxan-4-ylmethanesulfonyl fluoride.
What is the SMILES notation for oxan-4-ylmethanesulfonyl fluoride?
The canonical SMILES for oxan-4-ylmethanesulfonyl fluoride is O=S(=O)(F)CC1CCOCC1.
What is the InChIKey of oxan-4-ylmethanesulfonyl fluoride?
The InChIKey is DWTWFCFQDGUAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO3S/c7-11(8,9)5-6-1-3-10-4-2-6/h6H,1-5H2.
What are the key properties of oxan-4-ylmethanesulfonyl fluoride?
oxan-4-ylmethanesulfonyl fluoride has a molecular weight of 182.22 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylmethanesulfonyl fluoride is sourced from PubChem (CID 56828043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).