2,2,3,4,4,4-hexafluorobutylsulfanylmethylbenzene

C11H10F6S — CID 112758308

IUPAC2,2,3,4,4,4-hexafluorobutylsulfanylmethylbenzene
SMILESFC(C(F)(F)F)C(F)(F)CSCc1ccccc1
InChIInChI=1S/C11H10F6S/c12-9(11(15,16)17)10(13,14)7-18-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyWDXYKHYNTRDMSZ-UHFFFAOYSA-N
MW288.26 g/mol
LogP4.46
Rot. Bonds5

About 2,2,3,4,4,4-hexafluorobutylsulfanylmethylbenzene

2,2,3,4,4,4-hexafluorobutylsulfanylmethylbenzene (PubChem CID 112758308) has the molecular formula C11H10F6S and a molecular weight of 288.26 g/mol. Its IUPAC name is 2,2,3,4,4,4-hexafluorobutylsulfanylmethylbenzene.

Molecular Properties

Compound Name2,2,3,4,4,4-hexafluorobutylsulfanylmethylbenzene
PubChem CID112758308
Molecular FormulaC11H10F6S
Molecular Weight288.26 g/mol
Exact Mass288.04
IUPAC Name2,2,3,4,4,4-hexafluorobutylsulfanylmethylbenzene
SMILESFC(C(F)(F)F)C(F)(F)CSCc1ccccc1
InChIInChI=1S/C11H10F6S/c12-9(11(15,16)17)10(13,14)7-18-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyWDXYKHYNTRDMSZ-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,4,4-hexafluorobutylsulfanylmethylbenzene?
The IUPAC name of 2,2,3,4,4,4-hexafluorobutylsulfanylmethylbenzene (CID 112758308) is 2,2,3,4,4,4-hexafluorobutylsulfanylmethylbenzene.
What is the SMILES notation for 2,2,3,4,4,4-hexafluorobutylsulfanylmethylbenzene?
The canonical SMILES for 2,2,3,4,4,4-hexafluorobutylsulfanylmethylbenzene is FC(C(F)(F)F)C(F)(F)CSCc1ccccc1.
What is the InChIKey of 2,2,3,4,4,4-hexafluorobutylsulfanylmethylbenzene?
The InChIKey is WDXYKHYNTRDMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6S/c12-9(11(15,16)17)10(13,14)7-18-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 2,2,3,4,4,4-hexafluorobutylsulfanylmethylbenzene?
2,2,3,4,4,4-hexafluorobutylsulfanylmethylbenzene has a molecular weight of 288.26 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,4,4-hexafluorobutylsulfanylmethylbenzene is sourced from PubChem (CID 112758308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).