(2-fluoroethyldisulfanyl)benzene

C8H9FS2 — CID 87156193

IUPAC(2-fluoroethyldisulfanyl)benzene
SMILESFCCSSc1ccccc1
InChIInChI=1S/C8H9FS2/c9-6-7-10-11-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyWMLGWFFBIVHCLH-UHFFFAOYSA-N
MW188.29 g/mol
LogP3.40
Rot. Bonds4

About (2-fluoroethyldisulfanyl)benzene

(2-fluoroethyldisulfanyl)benzene (PubChem CID 87156193) has the molecular formula C8H9FS2 and a molecular weight of 188.29 g/mol. Its IUPAC name is (2-fluoroethyldisulfanyl)benzene.

Molecular Properties

Compound Name(2-fluoroethyldisulfanyl)benzene
PubChem CID87156193
Molecular FormulaC8H9FS2
Molecular Weight188.29 g/mol
Exact Mass188.01
IUPAC Name(2-fluoroethyldisulfanyl)benzene
SMILESFCCSSc1ccccc1
InChIInChI=1S/C8H9FS2/c9-6-7-10-11-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyWMLGWFFBIVHCLH-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 53.40
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 (2-fluoroethyldisulfanyl)benzene?
The IUPAC name of (2-fluoroethyldisulfanyl)benzene (CID 87156193) is (2-fluoroethyldisulfanyl)benzene.
What is the SMILES notation for (2-fluoroethyldisulfanyl)benzene?
The canonical SMILES for (2-fluoroethyldisulfanyl)benzene is FCCSSc1ccccc1.
What is the InChIKey of (2-fluoroethyldisulfanyl)benzene?
The InChIKey is WMLGWFFBIVHCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FS2/c9-6-7-10-11-8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of (2-fluoroethyldisulfanyl)benzene?
(2-fluoroethyldisulfanyl)benzene has a molecular weight of 188.29 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoroethyldisulfanyl)benzene is sourced from PubChem (CID 87156193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).