tetrafluoro-methyl-(2,3,4,5,6-pentamethylphenyl)-λ6-sulfane

C12H18F4S — CID 58382820

IUPACtetrafluoro-methyl-(2,3,4,5,6-pentamethylphenyl)-λ6-sulfane
SMILESCc1c(C)c(C)c(S(C)(F)(F)(F)F)c(C)c1C
InChIInChI=1S/C12H18F4S/c1-7-8(2)10(4)12(11(5)9(7)3)17(6,13,14,15)16/h1-6H3
InChIKeyANSOEAWUIGSNOM-UHFFFAOYSA-N
MW270.33 g/mol
LogP5.63
Rot. Bonds1

About tetrafluoro-methyl-(2,3,4,5,6-pentamethylphenyl)-λ6-sulfane

tetrafluoro-methyl-(2,3,4,5,6-pentamethylphenyl)-λ6-sulfane (PubChem CID 58382820) has the molecular formula C12H18F4S and a molecular weight of 270.33 g/mol. Its IUPAC name is tetrafluoro-methyl-(2,3,4,5,6-pentamethylphenyl)-λ6-sulfane.

Molecular Properties

Compound Nametetrafluoro-methyl-(2,3,4,5,6-pentamethylphenyl)-λ6-sulfane
PubChem CID58382820
Molecular FormulaC12H18F4S
Molecular Weight270.33 g/mol
Exact Mass270.11
IUPAC Nametetrafluoro-methyl-(2,3,4,5,6-pentamethylphenyl)-λ6-sulfane
SMILESCc1c(C)c(C)c(S(C)(F)(F)(F)F)c(C)c1C
InChIInChI=1S/C12H18F4S/c1-7-8(2)10(4)12(11(5)9(7)3)17(6,13,14,15)16/h1-6H3
InChIKeyANSOEAWUIGSNOM-UHFFFAOYSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.33
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tetrafluoro-methyl-(2,3,4,5,6-pentamethylphenyl)-λ6-sulfane?
The IUPAC name of tetrafluoro-methyl-(2,3,4,5,6-pentamethylphenyl)-λ6-sulfane (CID 58382820) is tetrafluoro-methyl-(2,3,4,5,6-pentamethylphenyl)-λ6-sulfane.
What is the SMILES notation for tetrafluoro-methyl-(2,3,4,5,6-pentamethylphenyl)-λ6-sulfane?
The canonical SMILES for tetrafluoro-methyl-(2,3,4,5,6-pentamethylphenyl)-λ6-sulfane is Cc1c(C)c(C)c(S(C)(F)(F)(F)F)c(C)c1C.
What is the InChIKey of tetrafluoro-methyl-(2,3,4,5,6-pentamethylphenyl)-λ6-sulfane?
The InChIKey is ANSOEAWUIGSNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F4S/c1-7-8(2)10(4)12(11(5)9(7)3)17(6,13,14,15)16/h1-6H3.
What are the key properties of tetrafluoro-methyl-(2,3,4,5,6-pentamethylphenyl)-λ6-sulfane?
tetrafluoro-methyl-(2,3,4,5,6-pentamethylphenyl)-λ6-sulfane has a molecular weight of 270.33 g/mol, XLogP of 5.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrafluoro-methyl-(2,3,4,5,6-pentamethylphenyl)-λ6-sulfane is sourced from PubChem (CID 58382820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).