3-chlorosulfinyloxy-3-fluoroprop-1-ene

C3H4ClFO2S — CID 121364749

IUPAC3-chlorosulfinyloxy-3-fluoroprop-1-ene
SMILESC=CC(F)OS(=O)Cl
InChIInChI=1S/C3H4ClFO2S/c1-2-3(5)7-8(4)6/h2-3H,1H2
InChIKeyKJSLBPFTYUKXQO-UHFFFAOYSA-N
MW158.58 g/mol
LogP1.30
Rot. Bonds3

About 3-chlorosulfinyloxy-3-fluoroprop-1-ene

3-chlorosulfinyloxy-3-fluoroprop-1-ene (PubChem CID 121364749) has the molecular formula C3H4ClFO2S and a molecular weight of 158.58 g/mol. Its IUPAC name is 3-chlorosulfinyloxy-3-fluoroprop-1-ene.

Molecular Properties

Compound Name3-chlorosulfinyloxy-3-fluoroprop-1-ene
PubChem CID121364749
Molecular FormulaC3H4ClFO2S
Molecular Weight158.58 g/mol
Exact Mass157.96
IUPAC Name3-chlorosulfinyloxy-3-fluoroprop-1-ene
SMILESC=CC(F)OS(=O)Cl
InChIInChI=1S/C3H4ClFO2S/c1-2-3(5)7-8(4)6/h2-3H,1H2
InChIKeyKJSLBPFTYUKXQO-UHFFFAOYSA-N
XLogP1.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.58
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chlorosulfinyloxy-3-fluoroprop-1-ene?
The IUPAC name of 3-chlorosulfinyloxy-3-fluoroprop-1-ene (CID 121364749) is 3-chlorosulfinyloxy-3-fluoroprop-1-ene.
What is the SMILES notation for 3-chlorosulfinyloxy-3-fluoroprop-1-ene?
The canonical SMILES for 3-chlorosulfinyloxy-3-fluoroprop-1-ene is C=CC(F)OS(=O)Cl.
What is the InChIKey of 3-chlorosulfinyloxy-3-fluoroprop-1-ene?
The InChIKey is KJSLBPFTYUKXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4ClFO2S/c1-2-3(5)7-8(4)6/h2-3H,1H2.
What are the key properties of 3-chlorosulfinyloxy-3-fluoroprop-1-ene?
3-chlorosulfinyloxy-3-fluoroprop-1-ene has a molecular weight of 158.58 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorosulfinyloxy-3-fluoroprop-1-ene is sourced from PubChem (CID 121364749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).