2-(trifluoromethyldisulfanyl)phenol

C7H5F3OS2 — CID 54099612

IUPAC2-(trifluoromethyldisulfanyl)phenol
SMILESOc1ccccc1SSC(F)(F)F
InChIInChI=1S/C7H5F3OS2/c8-7(9,10)13-12-6-4-2-1-3-5(6)11/h1-4,11H
InChIKeyZRRFSAQRTXRBBK-UHFFFAOYSA-N
MW226.24 g/mol
LogP3.65
Rot. Bonds2

About 2-(trifluoromethyldisulfanyl)phenol

2-(trifluoromethyldisulfanyl)phenol (PubChem CID 54099612) has the molecular formula C7H5F3OS2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-(trifluoromethyldisulfanyl)phenol.

Molecular Properties

Compound Name2-(trifluoromethyldisulfanyl)phenol
PubChem CID54099612
Molecular FormulaC7H5F3OS2
Molecular Weight226.24 g/mol
Exact Mass225.97
IUPAC Name2-(trifluoromethyldisulfanyl)phenol
SMILESOc1ccccc1SSC(F)(F)F
InChIInChI=1S/C7H5F3OS2/c8-7(9,10)13-12-6-4-2-1-3-5(6)11/h1-4,11H
InChIKeyZRRFSAQRTXRBBK-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'}

Analyze 2-(trifluoromethyldisulfanyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phenol, o-mercapto-(6CI,7CI,8CI)
CID 70718
o-(Methylthio)phenol
CID 61261
4-Mercaptophenol
CID 240147
3-Hydroxybenzenethiol
CID 2736613
2-Mercaptobenzene-1,4-diol
CID 2736167
2-[(Trifluoromethyl)sulfanyl]phenol
CID 10176507
3-(Pentafluorothio)phenol
CID 2779201
4-Hydroxyphenylsulfur pentafluoride
CID 2779203
4-(Trifluoromethylsulfanyl)phenol
CID 3815158
2,2'-Dithiodiphenol
CID 239746
2-Hydroxybenzene-1-sulfonyl fluoride
CID 12553491
2-Hydroxybenzene-1-sulfonyl chloride
CID 19083293

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyldisulfanyl)phenol?
The IUPAC name of 2-(trifluoromethyldisulfanyl)phenol (CID 54099612) is 2-(trifluoromethyldisulfanyl)phenol.
What is the SMILES notation for 2-(trifluoromethyldisulfanyl)phenol?
The canonical SMILES for 2-(trifluoromethyldisulfanyl)phenol is Oc1ccccc1SSC(F)(F)F.
What is the InChIKey of 2-(trifluoromethyldisulfanyl)phenol?
The InChIKey is ZRRFSAQRTXRBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3OS2/c8-7(9,10)13-12-6-4-2-1-3-5(6)11/h1-4,11H.
What are the key properties of 2-(trifluoromethyldisulfanyl)phenol?
2-(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 2-(trifluoromethyldisulfanyl)phenol is sourced from PubChem (CID 54099612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).