1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-yldisulfanyl)pentane

C10H12F10S2 — CID 87128270

IUPAC1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-yldisulfanyl)pentane
SMILESCCC(SSC(CC)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F10S2/c1-3-5(7(11,12)9(15,16)17)21-22-6(4-2)8(13,14)10(18,19)20/h5-6H,3-4H2,1-2H3
InChIKeyRBFTWJXUZJFWOH-UHFFFAOYSA-N
MW386.32 g/mol
LogP6.32
Rot. Bonds7

About 1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-yldisulfanyl)pentane

1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-yldisulfanyl)pentane (PubChem CID 87128270) has the molecular formula C10H12F10S2 and a molecular weight of 386.32 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-yldisulfanyl)pentane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-yldisulfanyl)pentane
PubChem CID87128270
Molecular FormulaC10H12F10S2
Molecular Weight386.32 g/mol
Exact Mass386.02
IUPAC Name1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-yldisulfanyl)pentane
SMILESCCC(SSC(CC)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F10S2/c1-3-5(7(11,12)9(15,16)17)21-22-6(4-2)8(13,14)10(18,19)20/h5-6H,3-4H2,1-2H3
InChIKeyRBFTWJXUZJFWOH-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.32
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Disulfides, bis(gamma-omega-perfluoro-C6-20-alkyl)
CID 3086586
Trifluoromethyl butyl disulfide
CID 546629
Trifluoromethyl S-butyl disulfide
CID 545343
1,1,1,3,3,3-Hexafluoro-2-(propyldisulfanyl)propane
CID 71334962
Bis(3,3,3-trifluoropropyl) disulfide
CID 87127999
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
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-(Ethyldisulfanyl)-1,1,2,2,3,3,3-heptafluoropropane
CID 87154407
1-(Ethyldisulfanyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane
CID 87154618

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-yldisulfanyl)pentane?
The IUPAC name of 1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-yldisulfanyl)pentane (CID 87128270) is 1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-yldisulfanyl)pentane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-yldisulfanyl)pentane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-yldisulfanyl)pentane is CCC(SSC(CC)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-(1,1,1,2,2-pentafluoropentan-3-yldisulfanyl)pentane?
The InChIKey is RBFTWJXUZJFWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F10S2/c1-3-5(7(11,12)9(15,16)17)21-22-6(4-2)8(13,14)10(18,19)20/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-yldisulfanyl)pentane?
1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-yldisulfanyl)pentane has a molecular weight of 386.32 g/mol, XLogP of 6.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-yldisulfanyl)pentane is sourced from PubChem (CID 87128270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).