chloro 1-fluoroprop-2-enyl sulfite

C3H4ClFO3S — CID 121364750

IUPACchloro 1-fluoroprop-2-enyl sulfite
SMILESC=CC(F)OS(=O)OCl
InChIInChI=1S/C3H4ClFO3S/c1-2-3(5)7-9(6)8-4/h2-3H,1H2
InChIKeyAOHXFZSCWVIMOA-UHFFFAOYSA-N
MW174.58 g/mol
LogP1.23
Rot. Bonds4

About chloro 1-fluoroprop-2-enyl sulfite

chloro 1-fluoroprop-2-enyl sulfite (PubChem CID 121364750) has the molecular formula C3H4ClFO3S and a molecular weight of 174.58 g/mol. Its IUPAC name is chloro 1-fluoroprop-2-enyl sulfite.

Molecular Properties

Compound Namechloro 1-fluoroprop-2-enyl sulfite
PubChem CID121364750
Molecular FormulaC3H4ClFO3S
Molecular Weight174.58 g/mol
Exact Mass173.96
IUPAC Namechloro 1-fluoroprop-2-enyl sulfite
SMILESC=CC(F)OS(=O)OCl
InChIInChI=1S/C3H4ClFO3S/c1-2-3(5)7-9(6)8-4/h2-3H,1H2
InChIKeyAOHXFZSCWVIMOA-UHFFFAOYSA-N
XLogP1.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.58
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Fluoro 1-fluoroprop-2-enyl sulfate
CID 20568646
3-Fluoro-3-fluorosulfonyloxyprop-1-ene
CID 57170714
3-Chlorosulfinyloxy-3-fluoroprop-1-ene
CID 121364749
1-Fluoro-3-fluorosulfonyloxyprop-1-ene
CID 140332120
3-Chlorosulfinyloxy-1-fluoroprop-1-ene
CID 173635923
Fluoromethyl prop-2-enyl sulfate
CID 174453503
Prop-2-enyl sulfite
CID 57176999
3-Chlorosulfonyloxyprop-1-ene
CID 87436620
3-Chlorosulfinyloxyprop-1-ene
CID 87537469
Chloro prop-2-enyl sulfite
CID 87537470
Lithium 3-fluoroprop-2-enyl sulfate
CID 175344174
Lithium 1-fluoroprop-2-enyl sulfate
CID 175344175

Frequently Asked Questions

What is the IUPAC name of chloro 1-fluoroprop-2-enyl sulfite?
The IUPAC name of chloro 1-fluoroprop-2-enyl sulfite (CID 121364750) is chloro 1-fluoroprop-2-enyl sulfite.
What is the SMILES notation for chloro 1-fluoroprop-2-enyl sulfite?
The canonical SMILES for chloro 1-fluoroprop-2-enyl sulfite is C=CC(F)OS(=O)OCl.
What is the InChIKey of chloro 1-fluoroprop-2-enyl sulfite?
The InChIKey is AOHXFZSCWVIMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4ClFO3S/c1-2-3(5)7-9(6)8-4/h2-3H,1H2.
What are the key properties of chloro 1-fluoroprop-2-enyl sulfite?
chloro 1-fluoroprop-2-enyl sulfite has a molecular weight of 174.58 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 1-fluoroprop-2-enyl sulfite is sourced from PubChem (CID 121364750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).