1-fluoro-2-(2-fluoroethyldisulfanyl)ethane

C4H8F2S2 — CID 87128418

IUPAC1-fluoro-2-(2-fluoroethyldisulfanyl)ethane
SMILESFCCSSCCF
InChIInChI=1S/C4H8F2S2/c5-1-3-7-8-4-2-6/h1-4H2
InChIKeyPQRQIEPLDQLSEV-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.31
Rot. Bonds5

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

1-fluoro-2-(2-fluoroethyldisulfanyl)ethane (PubChem CID 87128418) has the molecular formula C4H8F2S2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-fluoro-2-(2-fluoroethyldisulfanyl)ethane.

Molecular Properties

Compound Name1-fluoro-2-(2-fluoroethyldisulfanyl)ethane
PubChem CID87128418
Molecular FormulaC4H8F2S2
Molecular Weight158.24 g/mol
Exact Mass158.00
IUPAC Name1-fluoro-2-(2-fluoroethyldisulfanyl)ethane
SMILESFCCSSCCF
InChIInChI=1S/C4H8F2S2/c5-1-3-7-8-4-2-6/h1-4H2
InChIKeyPQRQIEPLDQLSEV-UHFFFAOYSA-N
XLogP2.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(2-fluoroethyldisulfanyl)ethane?
The IUPAC name of 1-fluoro-2-(2-fluoroethyldisulfanyl)ethane (CID 87128418) is 1-fluoro-2-(2-fluoroethyldisulfanyl)ethane.
What is the SMILES notation for 1-fluoro-2-(2-fluoroethyldisulfanyl)ethane?
The canonical SMILES for 1-fluoro-2-(2-fluoroethyldisulfanyl)ethane is FCCSSCCF.
What is the InChIKey of 1-fluoro-2-(2-fluoroethyldisulfanyl)ethane?
The InChIKey is PQRQIEPLDQLSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2S2/c5-1-3-7-8-4-2-6/h1-4H2.
What are the key properties of 1-fluoro-2-(2-fluoroethyldisulfanyl)ethane?
1-fluoro-2-(2-fluoroethyldisulfanyl)ethane has a molecular weight of 158.24 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(2-fluoroethyldisulfanyl)ethane is sourced from PubChem (CID 87128418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).