fluoro 1-fluoroprop-2-enyl sulfate

C3H4F2O4S — CID 20568646

IUPACfluoro 1-fluoroprop-2-enyl sulfate
SMILESC=CC(F)OS(=O)(=O)OF
InChIInChI=1S/C3H4F2O4S/c1-2-3(4)8-10(6,7)9-5/h2-3H,1H2
InChIKeyLYDNUDJVYGVMFA-UHFFFAOYSA-N
MW174.12 g/mol
LogP0.63
Rot. Bonds4

About fluoro 1-fluoroprop-2-enyl sulfate

fluoro 1-fluoroprop-2-enyl sulfate (PubChem CID 20568646) has the molecular formula C3H4F2O4S and a molecular weight of 174.12 g/mol. Its IUPAC name is fluoro 1-fluoroprop-2-enyl sulfate.

Molecular Properties

Compound Namefluoro 1-fluoroprop-2-enyl sulfate
PubChem CID20568646
Molecular FormulaC3H4F2O4S
Molecular Weight174.12 g/mol
Exact Mass173.98
IUPAC Namefluoro 1-fluoroprop-2-enyl sulfate
SMILESC=CC(F)OS(=O)(=O)OF
InChIInChI=1S/C3H4F2O4S/c1-2-3(4)8-10(6,7)9-5/h2-3H,1H2
InChIKeyLYDNUDJVYGVMFA-UHFFFAOYSA-N
XLogP0.63
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.12
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze fluoro 1-fluoroprop-2-enyl sulfate with MolForge

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

Launch Full Analysis

Related Compounds

Sulfuric acid, mono-2-propenyl ester, sodium salt
CID 23666377
Allyl fluorosulfate
CID 13928930
3-Fluoro-3-fluorosulfonyloxyprop-1-ene
CID 57170714
Fluoro prop-2-enyl sulfate
CID 87087146
1-Fluoroprop-2-enyl hydrogen sulfate
CID 87087147
3-Chlorosulfinyloxy-3-fluoroprop-1-ene
CID 121364749
Chloro 1-fluoroprop-2-enyl sulfite
CID 121364750
3-Fluoroprop-2-enyl hydrogen sulfate
CID 139432985
1-Fluoro-3-fluorosulfonyloxyprop-1-ene
CID 140332120
4-fluoro-4H-1,3,2-dioxathiine 2,2-dioxide
CID 146263750
3-Chlorosulfinyloxy-1-fluoroprop-1-ene
CID 173635923
Fluoromethyl prop-2-enyl sulfate
CID 174453503

Frequently Asked Questions

What is the IUPAC name of fluoro 1-fluoroprop-2-enyl sulfate?
The IUPAC name of fluoro 1-fluoroprop-2-enyl sulfate (CID 20568646) is fluoro 1-fluoroprop-2-enyl sulfate.
What is the SMILES notation for fluoro 1-fluoroprop-2-enyl sulfate?
The canonical SMILES for fluoro 1-fluoroprop-2-enyl sulfate is C=CC(F)OS(=O)(=O)OF.
What is the InChIKey of fluoro 1-fluoroprop-2-enyl sulfate?
The InChIKey is LYDNUDJVYGVMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F2O4S/c1-2-3(4)8-10(6,7)9-5/h2-3H,1H2.
What are the key properties of fluoro 1-fluoroprop-2-enyl sulfate?
fluoro 1-fluoroprop-2-enyl sulfate has a molecular weight of 174.12 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 1-fluoroprop-2-enyl sulfate is sourced from PubChem (CID 20568646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).