2-[difluoro-[[1,1,4,4,4-pentafluoro-2-(trifluoromethyl)butyl]disulfanyl]methyl]-1,1,1,4,4,4-hexafluorobutane

C10H6F16S2 — CID 174784860

IUPAC2-[difluoro-[[1,1,4,4,4-pentafluoro-2-(trifluoromethyl)butyl]disulfanyl]methyl]-1,1,1,4,4,4-hexafluorobutane
SMILESFC(F)(F)CC(C(F)(F)F)C(F)(F)SSC(F)(F)C(CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6F16S2/c11-5(12,13)1-3(7(17,18)19)9(23,24)27-28-10(25,26)4(8(20,21)22)2-6(14,15)16/h3-4H,1-2H2
InChIKeyJUDSIDUZHYPZEN-UHFFFAOYSA-N
MW494.26 g/mol
LogP7.82
Rot. Bonds7

About 2-[difluoro-[[1,1,4,4,4-pentafluoro-2-(trifluoromethyl)butyl]disulfanyl]methyl]-1,1,1,4,4,4-hexafluorobutane

2-[difluoro-[[1,1,4,4,4-pentafluoro-2-(trifluoromethyl)butyl]disulfanyl]methyl]-1,1,1,4,4,4-hexafluorobutane (PubChem CID 174784860) has the molecular formula C10H6F16S2 and a molecular weight of 494.26 g/mol. Its IUPAC name is 2-[difluoro-[[1,1,4,4,4-pentafluoro-2-(trifluoromethyl)butyl]disulfanyl]methyl]-1,1,1,4,4,4-hexafluorobutane.

Molecular Properties

Compound Name2-[difluoro-[[1,1,4,4,4-pentafluoro-2-(trifluoromethyl)butyl]disulfanyl]methyl]-1,1,1,4,4,4-hexafluorobutane
PubChem CID174784860
Molecular FormulaC10H6F16S2
Molecular Weight494.26 g/mol
Exact Mass493.97
IUPAC Name2-[difluoro-[[1,1,4,4,4-pentafluoro-2-(trifluoromethyl)butyl]disulfanyl]methyl]-1,1,1,4,4,4-hexafluorobutane
SMILESFC(F)(F)CC(C(F)(F)F)C(F)(F)SSC(F)(F)C(CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6F16S2/c11-5(12,13)1-3(7(17,18)19)9(23,24)27-28-10(25,26)4(8(20,21)22)2-6(14,15)16/h3-4H,1-2H2
InChIKeyJUDSIDUZHYPZEN-UHFFFAOYSA-N
XLogP7.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.26
LogP ≤ 57.82
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 2-[difluoro-[[1,1,4,4,4-pentafluoro-2-(trifluoromethyl)butyl]disulfanyl]methyl]-1,1,1,4,4,4-hexafluorobutane?
The IUPAC name of 2-[difluoro-[[1,1,4,4,4-pentafluoro-2-(trifluoromethyl)butyl]disulfanyl]methyl]-1,1,1,4,4,4-hexafluorobutane (CID 174784860) is 2-[difluoro-[[1,1,4,4,4-pentafluoro-2-(trifluoromethyl)butyl]disulfanyl]methyl]-1,1,1,4,4,4-hexafluorobutane.
What is the SMILES notation for 2-[difluoro-[[1,1,4,4,4-pentafluoro-2-(trifluoromethyl)butyl]disulfanyl]methyl]-1,1,1,4,4,4-hexafluorobutane?
The canonical SMILES for 2-[difluoro-[[1,1,4,4,4-pentafluoro-2-(trifluoromethyl)butyl]disulfanyl]methyl]-1,1,1,4,4,4-hexafluorobutane is FC(F)(F)CC(C(F)(F)F)C(F)(F)SSC(F)(F)C(CC(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[difluoro-[[1,1,4,4,4-pentafluoro-2-(trifluoromethyl)butyl]disulfanyl]methyl]-1,1,1,4,4,4-hexafluorobutane?
The InChIKey is JUDSIDUZHYPZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F16S2/c11-5(12,13)1-3(7(17,18)19)9(23,24)27-28-10(25,26)4(8(20,21)22)2-6(14,15)16/h3-4H,1-2H2.
What are the key properties of 2-[difluoro-[[1,1,4,4,4-pentafluoro-2-(trifluoromethyl)butyl]disulfanyl]methyl]-1,1,1,4,4,4-hexafluorobutane?
2-[difluoro-[[1,1,4,4,4-pentafluoro-2-(trifluoromethyl)butyl]disulfanyl]methyl]-1,1,1,4,4,4-hexafluorobutane has a molecular weight of 494.26 g/mol, XLogP of 7.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-[[1,1,4,4,4-pentafluoro-2-(trifluoromethyl)butyl]disulfanyl]methyl]-1,1,1,4,4,4-hexafluorobutane is sourced from PubChem (CID 174784860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).