1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-yldisulfanyl)butane

C8H10F8S2 — CID 87624223

IUPAC1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-yldisulfanyl)butane
SMILESCC(F)(CC(F)(F)F)SSC(C)(F)CC(F)(F)F
InChIInChI=1S/C8H10F8S2/c1-5(9,3-7(11,12)13)17-18-6(2,10)4-8(14,15)16/h3-4H2,1-2H3
InChIKeyNQSWTOPVWUSYGR-UHFFFAOYSA-N
MW322.29 g/mol
LogP5.64
Rot. Bonds5

About 1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-yldisulfanyl)butane

1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-yldisulfanyl)butane (PubChem CID 87624223) has the molecular formula C8H10F8S2 and a molecular weight of 322.29 g/mol. Its IUPAC name is 1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-yldisulfanyl)butane.

Molecular Properties

Compound Name1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-yldisulfanyl)butane
PubChem CID87624223
Molecular FormulaC8H10F8S2
Molecular Weight322.29 g/mol
Exact Mass322.01
IUPAC Name1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-yldisulfanyl)butane
SMILESCC(F)(CC(F)(F)F)SSC(C)(F)CC(F)(F)F
InChIInChI=1S/C8H10F8S2/c1-5(9,3-7(11,12)13)17-18-6(2,10)4-8(14,15)16/h3-4H2,1-2H3
InChIKeyNQSWTOPVWUSYGR-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.29
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-yldisulfanyl)butane?
The IUPAC name of 1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-yldisulfanyl)butane (CID 87624223) is 1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-yldisulfanyl)butane.
What is the SMILES notation for 1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-yldisulfanyl)butane?
The canonical SMILES for 1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-yldisulfanyl)butane is CC(F)(CC(F)(F)F)SSC(C)(F)CC(F)(F)F.
What is the InChIKey of 1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-yldisulfanyl)butane?
The InChIKey is NQSWTOPVWUSYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F8S2/c1-5(9,3-7(11,12)13)17-18-6(2,10)4-8(14,15)16/h3-4H2,1-2H3.
What are the key properties of 1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-yldisulfanyl)butane?
1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-yldisulfanyl)butane has a molecular weight of 322.29 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-yldisulfanyl)butane is sourced from PubChem (CID 87624223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).