1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutyldisulfanyl)butane

C8H10F8S2 — CID 87624224

IUPAC1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutyldisulfanyl)butane
SMILESFC(CCC(F)(F)F)SSC(F)CCC(F)(F)F
InChIInChI=1S/C8H10F8S2/c9-5(1-3-7(11,12)13)17-18-6(10)2-4-8(14,15)16/h5-6H,1-4H2
InChIKeySOFNMKHKTVDTOL-UHFFFAOYSA-N
MW322.29 g/mol
LogP5.64
Rot. Bonds7

About 1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutyldisulfanyl)butane

1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutyldisulfanyl)butane (PubChem CID 87624224) has the molecular formula C8H10F8S2 and a molecular weight of 322.29 g/mol. Its IUPAC name is 1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutyldisulfanyl)butane.

Molecular Properties

Compound Name1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutyldisulfanyl)butane
PubChem CID87624224
Molecular FormulaC8H10F8S2
Molecular Weight322.29 g/mol
Exact Mass322.01
IUPAC Name1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutyldisulfanyl)butane
SMILESFC(CCC(F)(F)F)SSC(F)CCC(F)(F)F
InChIInChI=1S/C8H10F8S2/c9-5(1-3-7(11,12)13)17-18-6(10)2-4-8(14,15)16/h5-6H,1-4H2
InChIKeySOFNMKHKTVDTOL-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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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Related Compounds

Disulfides, bis(gamma-omega-perfluoro-C6-20-alkyl)
CID 3086586
Trifluoromethyl butyl disulfide
CID 546629
Bis(trifluoroethyl)dithio
CID 15036106
1,1,1,4,4,4-Hexafluorobutane-2,3-dithiol
CID 58489749
Trifluoromethyl S-butyl disulfide
CID 545343
1,1,1,3,3,3-Hexafluoro-2-(propyldisulfanyl)propane
CID 71334962
1,1,1,3,3,3-Hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yldisulfanyl)propane
CID 14665818
Bis(3,3,3-trifluoropropyl) disulfide
CID 87127999
1,1,1,2,2-Pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-yldisulfanyl)pentane
CID 87128270
1,1,1,2,2-Pentafluoro-3-(2,2,3,3,3-pentafluoropropyldisulfanyl)propane
CID 87128375
1,1,1-Trifluoro-3-(4,4,4-trifluorobutan-2-yldisulfanyl)butane
CID 87128405
1,1,1-Trifluoro-3-(1,1,1-trifluoropentan-3-yldisulfanyl)pentane
CID 87128614

Frequently Asked Questions

What is the IUPAC name of 1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutyldisulfanyl)butane?
The IUPAC name of 1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutyldisulfanyl)butane (CID 87624224) is 1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutyldisulfanyl)butane.
What is the SMILES notation for 1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutyldisulfanyl)butane?
The canonical SMILES for 1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutyldisulfanyl)butane is FC(CCC(F)(F)F)SSC(F)CCC(F)(F)F.
What is the InChIKey of 1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutyldisulfanyl)butane?
The InChIKey is SOFNMKHKTVDTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F8S2/c9-5(1-3-7(11,12)13)17-18-6(10)2-4-8(14,15)16/h5-6H,1-4H2.
What are the key properties of 1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutyldisulfanyl)butane?
1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutyldisulfanyl)butane has a molecular weight of 322.29 g/mol, XLogP of 5.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4-tetrafluoro-4-(1,4,4,4-tetrafluorobutyldisulfanyl)butane is sourced from PubChem (CID 87624224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).