2,4-dimethyl-1-(2,2,2-trifluoroethylsulfanyl)benzene

C10H11F3S — CID 141285232

IUPAC2,4-dimethyl-1-(2,2,2-trifluoroethylsulfanyl)benzene
SMILESCc1ccc(SCC(F)(F)F)c(C)c1
InChIInChI=1S/C10H11F3S/c1-7-3-4-9(8(2)5-7)14-6-10(11,12)13/h3-5H,6H2,1-2H3
InChIKeyVKDPCZAHSAWQFJ-UHFFFAOYSA-N
MW220.26 g/mol
LogP3.96
Rot. Bonds2

About 2,4-dimethyl-1-(2,2,2-trifluoroethylsulfanyl)benzene

2,4-dimethyl-1-(2,2,2-trifluoroethylsulfanyl)benzene (PubChem CID 141285232) has the molecular formula C10H11F3S and a molecular weight of 220.26 g/mol. Its IUPAC name is 2,4-dimethyl-1-(2,2,2-trifluoroethylsulfanyl)benzene.

Molecular Properties

Compound Name2,4-dimethyl-1-(2,2,2-trifluoroethylsulfanyl)benzene
PubChem CID141285232
Molecular FormulaC10H11F3S
Molecular Weight220.26 g/mol
Exact Mass220.05
IUPAC Name2,4-dimethyl-1-(2,2,2-trifluoroethylsulfanyl)benzene
SMILESCc1ccc(SCC(F)(F)F)c(C)c1
InChIInChI=1S/C10H11F3S/c1-7-3-4-9(8(2)5-7)14-6-10(11,12)13/h3-5H,6H2,1-2H3
InChIKeyVKDPCZAHSAWQFJ-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(2,2,2-trifluoroethylsulfanyl)benzene?
The IUPAC name of 2,4-dimethyl-1-(2,2,2-trifluoroethylsulfanyl)benzene (CID 141285232) is 2,4-dimethyl-1-(2,2,2-trifluoroethylsulfanyl)benzene.
What is the SMILES notation for 2,4-dimethyl-1-(2,2,2-trifluoroethylsulfanyl)benzene?
The canonical SMILES for 2,4-dimethyl-1-(2,2,2-trifluoroethylsulfanyl)benzene is Cc1ccc(SCC(F)(F)F)c(C)c1.
What is the InChIKey of 2,4-dimethyl-1-(2,2,2-trifluoroethylsulfanyl)benzene?
The InChIKey is VKDPCZAHSAWQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3S/c1-7-3-4-9(8(2)5-7)14-6-10(11,12)13/h3-5H,6H2,1-2H3.
What are the key properties of 2,4-dimethyl-1-(2,2,2-trifluoroethylsulfanyl)benzene?
2,4-dimethyl-1-(2,2,2-trifluoroethylsulfanyl)benzene has a molecular weight of 220.26 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(2,2,2-trifluoroethylsulfanyl)benzene is sourced from PubChem (CID 141285232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).