1,1,1-trifluoro-3-(1,1,1-trifluoropentan-3-yldisulfanyl)pentane

C10H16F6S2 — CID 87128614

IUPAC1,1,1-trifluoro-3-(1,1,1-trifluoropentan-3-yldisulfanyl)pentane
SMILESCCC(CC(F)(F)F)SSC(CC)CC(F)(F)F
InChIInChI=1S/C10H16F6S2/c1-3-7(5-9(11,12)13)17-18-8(4-2)6-10(14,15)16/h7-8H,3-6H2,1-2H3
InChIKeyPJIIRKQLOPRHRY-UHFFFAOYSA-N
MW314.36 g/mol
LogP5.83
Rot. Bonds7

About 1,1,1-trifluoro-3-(1,1,1-trifluoropentan-3-yldisulfanyl)pentane

1,1,1-trifluoro-3-(1,1,1-trifluoropentan-3-yldisulfanyl)pentane (PubChem CID 87128614) has the molecular formula C10H16F6S2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(1,1,1-trifluoropentan-3-yldisulfanyl)pentane.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(1,1,1-trifluoropentan-3-yldisulfanyl)pentane
PubChem CID87128614
Molecular FormulaC10H16F6S2
Molecular Weight314.36 g/mol
Exact Mass314.06
IUPAC Name1,1,1-trifluoro-3-(1,1,1-trifluoropentan-3-yldisulfanyl)pentane
SMILESCCC(CC(F)(F)F)SSC(CC)CC(F)(F)F
InChIInChI=1S/C10H16F6S2/c1-3-7(5-9(11,12)13)17-18-8(4-2)6-10(14,15)16/h7-8H,3-6H2,1-2H3
InChIKeyPJIIRKQLOPRHRY-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.36
LogP ≤ 55.83
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
1,1,1,3,3,3-Hexafluoro-2-(propyldisulfanyl)propane
CID 71334962
1,1,1,2,2-Pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-yldisulfanyl)pentane
CID 87128270
1,1,1-Trifluoro-3-(4,4,4-trifluorobutan-2-yldisulfanyl)butane
CID 87128405
1-Fluoro-2-(1-fluorobutan-2-yldisulfanyl)butane
CID 87128512
1,1,1,2,2-Pentafluoro-3-(3,3,4,4,4-pentafluorobutan-2-yldisulfanyl)butane
CID 87128669
1,1,1-Trifluoro-2-(1,1,1-trifluoropropan-2-yldisulfanyl)propane
CID 87128720
1,1,1-Trifluoro-2-(1,1,1-trifluorobutan-2-yldisulfanyl)butane
CID 87128734
1-Fluoro-1-(1-fluorobutyldisulfanyl)butane
CID 87623903
2-Fluoro-1-(2-fluorobutyldisulfanyl)butane
CID 87624101
1,1,1,4-Tetrafluoro-4-(1,4,4,4-tetrafluorobutyldisulfanyl)butane
CID 87624224
1,1,1,5,5,5-Hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-yldisulfanyl)pentane
CID 87625064

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(1,1,1-trifluoropentan-3-yldisulfanyl)pentane?
The IUPAC name of 1,1,1-trifluoro-3-(1,1,1-trifluoropentan-3-yldisulfanyl)pentane (CID 87128614) is 1,1,1-trifluoro-3-(1,1,1-trifluoropentan-3-yldisulfanyl)pentane.
What is the SMILES notation for 1,1,1-trifluoro-3-(1,1,1-trifluoropentan-3-yldisulfanyl)pentane?
The canonical SMILES for 1,1,1-trifluoro-3-(1,1,1-trifluoropentan-3-yldisulfanyl)pentane is CCC(CC(F)(F)F)SSC(CC)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(1,1,1-trifluoropentan-3-yldisulfanyl)pentane?
The InChIKey is PJIIRKQLOPRHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6S2/c1-3-7(5-9(11,12)13)17-18-8(4-2)6-10(14,15)16/h7-8H,3-6H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-(1,1,1-trifluoropentan-3-yldisulfanyl)pentane?
1,1,1-trifluoro-3-(1,1,1-trifluoropentan-3-yldisulfanyl)pentane has a molecular weight of 314.36 g/mol, XLogP of 5.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(1,1,1-trifluoropentan-3-yldisulfanyl)pentane is sourced from PubChem (CID 87128614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).