1,1,1,3,3,3-hexafluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)disulfanyl]-2-methylpropane

C8H6F12S2 — CID 87130001

IUPAC1,1,1,3,3,3-hexafluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)disulfanyl]-2-methylpropane
SMILESCC(SSC(C)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H6F12S2/c1-3(5(9,10)11,6(12,13)14)21-22-4(2,7(15,16)17)8(18,19)20/h1-2H3
InChIKeyQQDHUWVBQLZLAF-UHFFFAOYSA-N
MW394.25 g/mol
LogP6.13
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)disulfanyl]-2-methylpropane

1,1,1,3,3,3-hexafluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)disulfanyl]-2-methylpropane (PubChem CID 87130001) has the molecular formula C8H6F12S2 and a molecular weight of 394.25 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)disulfanyl]-2-methylpropane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)disulfanyl]-2-methylpropane
PubChem CID87130001
Molecular FormulaC8H6F12S2
Molecular Weight394.25 g/mol
Exact Mass393.97
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)disulfanyl]-2-methylpropane
SMILESCC(SSC(C)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H6F12S2/c1-3(5(9,10)11,6(12,13)14)21-22-4(2,7(15,16)17)8(18,19)20/h1-2H3
InChIKeyQQDHUWVBQLZLAF-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.25
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,1,3,3,3-hexafluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)disulfanyl]-2-methylpropane with MolForge

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Related Compounds

Trifluoromethyl t-butyl disulfide
CID 545896
1,1,1,3,3,3-Hexafluoro-2-methylpropane-2-thiol
CID 23432632
1-(1,1-Difluoropropyldisulfanyl)-1,1-difluoropropane
CID 87128296
1,1,1-Trifluoro-2-(trifluoromethyl)-2-[[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]butane
CID 87130064
2-(Ethyldisulfanyl)-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
CID 87154393
1,1,1,4,4,4-Hexafluoro-2-[[1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]-2-(trifluoromethyl)butane
CID 87624063
1,1,1,3-Tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-yldisulfanyl)butane
CID 87624223
1,1,1,2,3-Pentafluorobutane-2,3-dithiol
CID 122575831
1,1,1,2,4,4,4-Heptafluoro-3-methylbutane-2,3-dithiol
CID 122575833
1,1,1,3-Tetrafluoro-2-(trifluoromethyl)butane-2,3-dithiol
CID 122575835
2-[Difluoro-[[1,1,4,4,4-pentafluoro-2-(trifluoromethyl)butyl]disulfanyl]methyl]-1,1,1,4,4,4-hexafluorobutane
CID 174784860
CID 175968172
CID 175968172

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)disulfanyl]-2-methylpropane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)disulfanyl]-2-methylpropane (CID 87130001) is 1,1,1,3,3,3-hexafluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)disulfanyl]-2-methylpropane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)disulfanyl]-2-methylpropane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)disulfanyl]-2-methylpropane is CC(SSC(C)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)disulfanyl]-2-methylpropane?
The InChIKey is QQDHUWVBQLZLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F12S2/c1-3(5(9,10)11,6(12,13)14)21-22-4(2,7(15,16)17)8(18,19)20/h1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)disulfanyl]-2-methylpropane?
1,1,1,3,3,3-hexafluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)disulfanyl]-2-methylpropane has a molecular weight of 394.25 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)disulfanyl]-2-methylpropane is sourced from PubChem (CID 87130001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).