2-(trifluoromethyldisulfanyl)propane

C4H7F3S2 — CID 550487

IUPAC2-(trifluoromethyldisulfanyl)propane
SMILESCC(C)SSC(F)(F)F
InChIInChI=1S/C4H7F3S2/c1-3(2)8-9-4(5,6)7/h3H,1-2H3
InChIKeyDUOCZXQKHSWHAQ-UHFFFAOYSA-N
MW176.23 g/mol
LogP3.30
Rot. Bonds2

About 2-(trifluoromethyldisulfanyl)propane

2-(trifluoromethyldisulfanyl)propane (PubChem CID 550487) has the molecular formula C4H7F3S2 and a molecular weight of 176.23 g/mol. Its IUPAC name is 2-(trifluoromethyldisulfanyl)propane.

Molecular Properties

Compound Name2-(trifluoromethyldisulfanyl)propane
PubChem CID550487
Molecular FormulaC4H7F3S2
Molecular Weight176.23 g/mol
Exact Mass175.99
IUPAC Name2-(trifluoromethyldisulfanyl)propane
SMILESCC(C)SSC(F)(F)F
InChIInChI=1S/C4H7F3S2/c1-3(2)8-9-4(5,6)7/h3H,1-2H3
InChIKeyDUOCZXQKHSWHAQ-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyldisulfanyl)propane?
The IUPAC name of 2-(trifluoromethyldisulfanyl)propane (CID 550487) is 2-(trifluoromethyldisulfanyl)propane.
What is the SMILES notation for 2-(trifluoromethyldisulfanyl)propane?
The canonical SMILES for 2-(trifluoromethyldisulfanyl)propane is CC(C)SSC(F)(F)F.
What is the InChIKey of 2-(trifluoromethyldisulfanyl)propane?
The InChIKey is DUOCZXQKHSWHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3S2/c1-3(2)8-9-4(5,6)7/h3H,1-2H3.
What are the key properties of 2-(trifluoromethyldisulfanyl)propane?
2-(trifluoromethyldisulfanyl)propane has a molecular weight of 176.23 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyldisulfanyl)propane is sourced from PubChem (CID 550487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).