4-(1-fluoroethenoxy)butane-1-sulfonyl fluoride

C6H10F2O3S — CID 89137534

IUPAC4-(1-fluoroethenoxy)butane-1-sulfonyl fluoride
SMILESC=C(F)OCCCCS(=O)(=O)F
InChIInChI=1S/C6H10F2O3S/c1-6(7)11-4-2-3-5-12(8,9)10/h1-5H2
InChIKeyKMLNDZPECVJNKS-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.52
Rot. Bonds6

About 4-(1-fluoroethenoxy)butane-1-sulfonyl fluoride

4-(1-fluoroethenoxy)butane-1-sulfonyl fluoride (PubChem CID 89137534) has the molecular formula C6H10F2O3S and a molecular weight of 200.21 g/mol. Its IUPAC name is 4-(1-fluoroethenoxy)butane-1-sulfonyl fluoride.

Molecular Properties

Compound Name4-(1-fluoroethenoxy)butane-1-sulfonyl fluoride
PubChem CID89137534
Molecular FormulaC6H10F2O3S
Molecular Weight200.21 g/mol
Exact Mass200.03
IUPAC Name4-(1-fluoroethenoxy)butane-1-sulfonyl fluoride
SMILESC=C(F)OCCCCS(=O)(=O)F
InChIInChI=1S/C6H10F2O3S/c1-6(7)11-4-2-3-5-12(8,9)10/h1-5H2
InChIKeyKMLNDZPECVJNKS-UHFFFAOYSA-N
XLogP1.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-Fluoroethenoxy)ethanesulfonyl fluoride
CID 88916265
4-Ethenoxybutane-1-sulfonyl fluoride
CID 151614121
3-Ethenoxypropane-1-sulfonyl fluoride
CID 154634401
3-Ethenoxy-1-(2-fluoroethoxy)propane-1-sulfonyl fluoride
CID 172857985
1-(4-Fluorosulfonylbutoxy)ethenyl hypofluorite
CID 22992998
4-(1-Fluoroethenoxy)butane-1-sulfonyl fluoride;2-(1-fluoroethenoxy)ethanesulfonyl fluoride
CID 161750942

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethenoxy)butane-1-sulfonyl fluoride?
The IUPAC name of 4-(1-fluoroethenoxy)butane-1-sulfonyl fluoride (CID 89137534) is 4-(1-fluoroethenoxy)butane-1-sulfonyl fluoride.
What is the SMILES notation for 4-(1-fluoroethenoxy)butane-1-sulfonyl fluoride?
The canonical SMILES for 4-(1-fluoroethenoxy)butane-1-sulfonyl fluoride is C=C(F)OCCCCS(=O)(=O)F.
What is the InChIKey of 4-(1-fluoroethenoxy)butane-1-sulfonyl fluoride?
The InChIKey is KMLNDZPECVJNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O3S/c1-6(7)11-4-2-3-5-12(8,9)10/h1-5H2.
What are the key properties of 4-(1-fluoroethenoxy)butane-1-sulfonyl fluoride?
4-(1-fluoroethenoxy)butane-1-sulfonyl fluoride has a molecular weight of 200.21 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethenoxy)butane-1-sulfonyl fluoride is sourced from PubChem (CID 89137534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).