(3,4-dimethylphenyl)-pentafluoro-λ6-sulfane

C8H9F5S — CID 134929622

IUPAC(3,4-dimethylphenyl)-pentafluoro-λ6-sulfane
SMILESCc1ccc(S(F)(F)(F)(F)F)cc1C
InChIInChI=1S/C8H9F5S/c1-6-3-4-8(5-7(6)2)14(9,10,11,12)13/h3-5H,1-2H3
InChIKeySTFDKYXUZJTIRQ-UHFFFAOYSA-N
MW232.22 g/mol
LogP4.96
Rot. Bonds1

About (3,4-dimethylphenyl)-pentafluoro-λ6-sulfane

(3,4-dimethylphenyl)-pentafluoro-λ6-sulfane (PubChem CID 134929622) has the molecular formula C8H9F5S and a molecular weight of 232.22 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-pentafluoro-λ6-sulfane.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-pentafluoro-λ6-sulfane
PubChem CID134929622
Molecular FormulaC8H9F5S
Molecular Weight232.22 g/mol
Exact Mass232.03
IUPAC Name(3,4-dimethylphenyl)-pentafluoro-λ6-sulfane
SMILESCc1ccc(S(F)(F)(F)(F)F)cc1C
InChIInChI=1S/C8H9F5S/c1-6-3-4-8(5-7(6)2)14(9,10,11,12)13/h3-5H,1-2H3
InChIKeySTFDKYXUZJTIRQ-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-pentafluoro-λ6-sulfane?
The IUPAC name of (3,4-dimethylphenyl)-pentafluoro-λ6-sulfane (CID 134929622) is (3,4-dimethylphenyl)-pentafluoro-λ6-sulfane.
What is the SMILES notation for (3,4-dimethylphenyl)-pentafluoro-λ6-sulfane?
The canonical SMILES for (3,4-dimethylphenyl)-pentafluoro-λ6-sulfane is Cc1ccc(S(F)(F)(F)(F)F)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-pentafluoro-λ6-sulfane?
The InChIKey is STFDKYXUZJTIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F5S/c1-6-3-4-8(5-7(6)2)14(9,10,11,12)13/h3-5H,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-pentafluoro-λ6-sulfane?
(3,4-dimethylphenyl)-pentafluoro-λ6-sulfane has a molecular weight of 232.22 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-pentafluoro-λ6-sulfane is sourced from PubChem (CID 134929622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).