4-(trifluoromethyldisulfanyl)phenol

C7H5F3OS2 — CID 22485321

IUPAC4-(trifluoromethyldisulfanyl)phenol
SMILESOc1ccc(SSC(F)(F)F)cc1
InChIInChI=1S/C7H5F3OS2/c8-7(9,10)13-12-6-3-1-5(11)2-4-6/h1-4,11H
InChIKeyMUBBWPFGVSSDPQ-UHFFFAOYSA-N
MW226.24 g/mol
LogP3.65
Rot. Bonds2

About 4-(trifluoromethyldisulfanyl)phenol

4-(trifluoromethyldisulfanyl)phenol (PubChem CID 22485321) has the molecular formula C7H5F3OS2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-(trifluoromethyldisulfanyl)phenol.

Molecular Properties

Compound Name4-(trifluoromethyldisulfanyl)phenol
PubChem CID22485321
Molecular FormulaC7H5F3OS2
Molecular Weight226.24 g/mol
Exact Mass225.97
IUPAC Name4-(trifluoromethyldisulfanyl)phenol
SMILESOc1ccc(SSC(F)(F)F)cc1
InChIInChI=1S/C7H5F3OS2/c8-7(9,10)13-12-6-3-1-5(11)2-4-6/h1-4,11H
InChIKeyMUBBWPFGVSSDPQ-UHFFFAOYSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyldisulfanyl)phenol?
The IUPAC name of 4-(trifluoromethyldisulfanyl)phenol (CID 22485321) is 4-(trifluoromethyldisulfanyl)phenol.
What is the SMILES notation for 4-(trifluoromethyldisulfanyl)phenol?
The canonical SMILES for 4-(trifluoromethyldisulfanyl)phenol is Oc1ccc(SSC(F)(F)F)cc1.
What is the InChIKey of 4-(trifluoromethyldisulfanyl)phenol?
The InChIKey is MUBBWPFGVSSDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3OS2/c8-7(9,10)13-12-6-3-1-5(11)2-4-6/h1-4,11H.
What are the key properties of 4-(trifluoromethyldisulfanyl)phenol?
4-(trifluoromethyldisulfanyl)phenol has a molecular weight of 226.24 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyldisulfanyl)phenol is sourced from PubChem (CID 22485321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).