1-(trifluoromethyl)-4-(trifluoromethylsulfanyl)benzene

C8H4F6S — CID 10220517

IUPAC1-(trifluoromethyl)-4-(trifluoromethylsulfanyl)benzene
SMILESFC(F)(F)Sc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H4F6S/c9-7(10,11)5-1-3-6(4-2-5)15-8(12,13)14/h1-4H
InChIKeySVILOHWJPWMYOI-UHFFFAOYSA-N
MW246.18 g/mol
LogP4.32
Rot. Bonds1

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

1-(trifluoromethyl)-4-(trifluoromethylsulfanyl)benzene (PubChem CID 10220517) has the molecular formula C8H4F6S and a molecular weight of 246.18 g/mol. Its IUPAC name is 1-(trifluoromethyl)-4-(trifluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name1-(trifluoromethyl)-4-(trifluoromethylsulfanyl)benzene
PubChem CID10220517
Molecular FormulaC8H4F6S
Molecular Weight246.18 g/mol
Exact Mass245.99
IUPAC Name1-(trifluoromethyl)-4-(trifluoromethylsulfanyl)benzene
SMILESFC(F)(F)Sc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H4F6S/c9-7(10,11)5-1-3-6(4-2-5)15-8(12,13)14/h1-4H
InChIKeySVILOHWJPWMYOI-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-4-(trifluoromethylsulfanyl)benzene?
The IUPAC name of 1-(trifluoromethyl)-4-(trifluoromethylsulfanyl)benzene (CID 10220517) is 1-(trifluoromethyl)-4-(trifluoromethylsulfanyl)benzene.
What is the SMILES notation for 1-(trifluoromethyl)-4-(trifluoromethylsulfanyl)benzene?
The canonical SMILES for 1-(trifluoromethyl)-4-(trifluoromethylsulfanyl)benzene is FC(F)(F)Sc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(trifluoromethyl)-4-(trifluoromethylsulfanyl)benzene?
The InChIKey is SVILOHWJPWMYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6S/c9-7(10,11)5-1-3-6(4-2-5)15-8(12,13)14/h1-4H.
What are the key properties of 1-(trifluoromethyl)-4-(trifluoromethylsulfanyl)benzene?
1-(trifluoromethyl)-4-(trifluoromethylsulfanyl)benzene has a molecular weight of 246.18 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-4-(trifluoromethylsulfanyl)benzene is sourced from PubChem (CID 10220517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).