1-(trifluoromethoxysulfanyl)-4-(trifluoromethylsulfanyl)benzene

C8H4F6OS2 — CID 88702436

IUPAC1-(trifluoromethoxysulfanyl)-4-(trifluoromethylsulfanyl)benzene
SMILESFC(F)(F)OSc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C8H4F6OS2/c9-7(10,11)15-17-6-3-1-5(2-4-6)16-8(12,13)14/h1-4H
InChIKeyIZEHCCUACJDFSR-UHFFFAOYSA-N
MW294.24 g/mol
LogP4.84
Rot. Bonds3

About 1-(trifluoromethoxysulfanyl)-4-(trifluoromethylsulfanyl)benzene

1-(trifluoromethoxysulfanyl)-4-(trifluoromethylsulfanyl)benzene (PubChem CID 88702436) has the molecular formula C8H4F6OS2 and a molecular weight of 294.24 g/mol. Its IUPAC name is 1-(trifluoromethoxysulfanyl)-4-(trifluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name1-(trifluoromethoxysulfanyl)-4-(trifluoromethylsulfanyl)benzene
PubChem CID88702436
Molecular FormulaC8H4F6OS2
Molecular Weight294.24 g/mol
Exact Mass293.96
IUPAC Name1-(trifluoromethoxysulfanyl)-4-(trifluoromethylsulfanyl)benzene
SMILESFC(F)(F)OSc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C8H4F6OS2/c9-7(10,11)15-17-6-3-1-5(2-4-6)16-8(12,13)14/h1-4H
InChIKeyIZEHCCUACJDFSR-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(trifluoromethoxysulfanyl)-4-(trifluoromethylsulfanyl)benzene 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

1-tert-butyl-4-(trifluoromethoxysulfanyl)benzene
CID 141407639
1,2,3,4,5,6-hexakis[4-(trifluoromethylsulfanyl)phenyl]benzene
CID 162534995
4-(trifluoromethylsulfanyl)aniline;hydrochloride
CID 71758701
1-tert-butyl-4-(trifluoromethylsulfanyl)benzene
CID 138974007
CID 87214702
CID 87214702
trifluoromethylsulfanylbenzene;hydrate
CID 174995188
N-fluoro-4-(trifluoromethylsulfanyl)aniline
CID 141223381
1-methyl-4-(trifluoromethylsulfanyl)benzene;molecular fluorine;hydrofluoride
CID 167649765
magnesium;1-methanidyl-4-(trifluoromethylsulfanyl)benzene;bromide
CID 133144331
[4-(trifluoromethylsulfanyl)phenyl]methyl formate
CID 87851581
[4-(trifluoromethylsulfanyl)phenyl] cyanate
CID 176737925
1-prop-1-en-2-yl-4-(trifluoromethylsulfanyl)benzene
CID 67046987

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethoxysulfanyl)-4-(trifluoromethylsulfanyl)benzene?
The IUPAC name of 1-(trifluoromethoxysulfanyl)-4-(trifluoromethylsulfanyl)benzene (CID 88702436) is 1-(trifluoromethoxysulfanyl)-4-(trifluoromethylsulfanyl)benzene.
What is the SMILES notation for 1-(trifluoromethoxysulfanyl)-4-(trifluoromethylsulfanyl)benzene?
The canonical SMILES for 1-(trifluoromethoxysulfanyl)-4-(trifluoromethylsulfanyl)benzene is FC(F)(F)OSc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 1-(trifluoromethoxysulfanyl)-4-(trifluoromethylsulfanyl)benzene?
The InChIKey is IZEHCCUACJDFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6OS2/c9-7(10,11)15-17-6-3-1-5(2-4-6)16-8(12,13)14/h1-4H.
What are the key properties of 1-(trifluoromethoxysulfanyl)-4-(trifluoromethylsulfanyl)benzene?
1-(trifluoromethoxysulfanyl)-4-(trifluoromethylsulfanyl)benzene has a molecular weight of 294.24 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethoxysulfanyl)-4-(trifluoromethylsulfanyl)benzene is sourced from PubChem (CID 88702436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).