1,1,1,2,2-pentafluoro-3-(3,3,4,4,4-pentafluorobutan-2-ylsulfanyl)butane

C8H8F10S — CID 87128143

IUPAC1,1,1,2,2-pentafluoro-3-(3,3,4,4,4-pentafluorobutan-2-ylsulfanyl)butane
SMILESCC(SC(C)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F10S/c1-3(5(9,10)7(13,14)15)19-4(2)6(11,12)8(16,17)18/h3-4H,1-2H3
InChIKeyATDKHJHPFZOIEZ-UHFFFAOYSA-N
MW326.20 g/mol
LogP4.89
Rot. Bonds4

About 1,1,1,2,2-pentafluoro-3-(3,3,4,4,4-pentafluorobutan-2-ylsulfanyl)butane

1,1,1,2,2-pentafluoro-3-(3,3,4,4,4-pentafluorobutan-2-ylsulfanyl)butane (PubChem CID 87128143) has the molecular formula C8H8F10S and a molecular weight of 326.20 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-3-(3,3,4,4,4-pentafluorobutan-2-ylsulfanyl)butane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-3-(3,3,4,4,4-pentafluorobutan-2-ylsulfanyl)butane
PubChem CID87128143
Molecular FormulaC8H8F10S
Molecular Weight326.20 g/mol
Exact Mass326.02
IUPAC Name1,1,1,2,2-pentafluoro-3-(3,3,4,4,4-pentafluorobutan-2-ylsulfanyl)butane
SMILESCC(SC(C)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F10S/c1-3(5(9,10)7(13,14)15)19-4(2)6(11,12)8(16,17)18/h3-4H,1-2H3
InChIKeyATDKHJHPFZOIEZ-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-3-(3,3,4,4,4-pentafluorobutan-2-ylsulfanyl)butane?
The IUPAC name of 1,1,1,2,2-pentafluoro-3-(3,3,4,4,4-pentafluorobutan-2-ylsulfanyl)butane (CID 87128143) is 1,1,1,2,2-pentafluoro-3-(3,3,4,4,4-pentafluorobutan-2-ylsulfanyl)butane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-3-(3,3,4,4,4-pentafluorobutan-2-ylsulfanyl)butane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-3-(3,3,4,4,4-pentafluorobutan-2-ylsulfanyl)butane is CC(SC(C)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-3-(3,3,4,4,4-pentafluorobutan-2-ylsulfanyl)butane?
The InChIKey is ATDKHJHPFZOIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F10S/c1-3(5(9,10)7(13,14)15)19-4(2)6(11,12)8(16,17)18/h3-4H,1-2H3.
What are the key properties of 1,1,1,2,2-pentafluoro-3-(3,3,4,4,4-pentafluorobutan-2-ylsulfanyl)butane?
1,1,1,2,2-pentafluoro-3-(3,3,4,4,4-pentafluorobutan-2-ylsulfanyl)butane has a molecular weight of 326.20 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-3-(3,3,4,4,4-pentafluorobutan-2-ylsulfanyl)butane is sourced from PubChem (CID 87128143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).