4-chloro-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene

C8H3ClF6S — CID 14904767

IUPAC4-chloro-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene
SMILESFC(F)(F)Sc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C8H3ClF6S/c9-4-1-2-6(16-8(13,14)15)5(3-4)7(10,11)12/h1-3H
InChIKeyFUJXQFHBRXWJLX-UHFFFAOYSA-N
MW280.62 g/mol
LogP4.97
Rot. Bonds1

About 4-chloro-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene

4-chloro-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene (PubChem CID 14904767) has the molecular formula C8H3ClF6S and a molecular weight of 280.62 g/mol. Its IUPAC name is 4-chloro-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name4-chloro-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene
PubChem CID14904767
Molecular FormulaC8H3ClF6S
Molecular Weight280.62 g/mol
Exact Mass279.95
IUPAC Name4-chloro-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene
SMILESFC(F)(F)Sc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C8H3ClF6S/c9-4-1-2-6(16-8(13,14)15)5(3-4)7(10,11)12/h1-3H
InChIKeyFUJXQFHBRXWJLX-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.62
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene?
The IUPAC name of 4-chloro-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene (CID 14904767) is 4-chloro-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene.
What is the SMILES notation for 4-chloro-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene?
The canonical SMILES for 4-chloro-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene is FC(F)(F)Sc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 4-chloro-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene?
The InChIKey is FUJXQFHBRXWJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF6S/c9-4-1-2-6(16-8(13,14)15)5(3-4)7(10,11)12/h1-3H.
What are the key properties of 4-chloro-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene?
4-chloro-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene has a molecular weight of 280.62 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene is sourced from PubChem (CID 14904767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).