1-fluoro-2-(2-fluoroethylsulfanyloxysulfanyl)ethane

C4H8F2OS2 — CID 174571477

IUPAC1-fluoro-2-(2-fluoroethylsulfanyloxysulfanyl)ethane
SMILESFCCSOSCCF
InChIInChI=1S/C4H8F2OS2/c5-1-3-8-7-9-4-2-6/h1-4H2
InChIKeyUCQPHTMISNHDMF-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.24
Rot. Bonds6

About 1-fluoro-2-(2-fluoroethylsulfanyloxysulfanyl)ethane

1-fluoro-2-(2-fluoroethylsulfanyloxysulfanyl)ethane (PubChem CID 174571477) has the molecular formula C4H8F2OS2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-fluoro-2-(2-fluoroethylsulfanyloxysulfanyl)ethane.

Molecular Properties

Compound Name1-fluoro-2-(2-fluoroethylsulfanyloxysulfanyl)ethane
PubChem CID174571477
Molecular FormulaC4H8F2OS2
Molecular Weight174.24 g/mol
Exact Mass174.00
IUPAC Name1-fluoro-2-(2-fluoroethylsulfanyloxysulfanyl)ethane
SMILESFCCSOSCCF
InChIInChI=1S/C4H8F2OS2/c5-1-3-8-7-9-4-2-6/h1-4H2
InChIKeyUCQPHTMISNHDMF-UHFFFAOYSA-N
XLogP2.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(2-fluoroethylsulfanyloxysulfanyl)ethane?
The IUPAC name of 1-fluoro-2-(2-fluoroethylsulfanyloxysulfanyl)ethane (CID 174571477) is 1-fluoro-2-(2-fluoroethylsulfanyloxysulfanyl)ethane.
What is the SMILES notation for 1-fluoro-2-(2-fluoroethylsulfanyloxysulfanyl)ethane?
The canonical SMILES for 1-fluoro-2-(2-fluoroethylsulfanyloxysulfanyl)ethane is FCCSOSCCF.
What is the InChIKey of 1-fluoro-2-(2-fluoroethylsulfanyloxysulfanyl)ethane?
The InChIKey is UCQPHTMISNHDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2OS2/c5-1-3-8-7-9-4-2-6/h1-4H2.
What are the key properties of 1-fluoro-2-(2-fluoroethylsulfanyloxysulfanyl)ethane?
1-fluoro-2-(2-fluoroethylsulfanyloxysulfanyl)ethane has a molecular weight of 174.24 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(2-fluoroethylsulfanyloxysulfanyl)ethane is sourced from PubChem (CID 174571477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).