1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yldisulfanyl)propane

C6H8F6S2 — CID 87128720

IUPAC1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yldisulfanyl)propane
SMILESCC(SSC(C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6S2/c1-3(5(7,8)9)13-14-4(2)6(10,11)12/h3-4H,1-2H3
InChIKeyDWFKQRZKBRFZRK-UHFFFAOYSA-N
MW258.25 g/mol
LogP4.27
Rot. Bonds3

About 1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yldisulfanyl)propane

1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yldisulfanyl)propane (PubChem CID 87128720) has the molecular formula C6H8F6S2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yldisulfanyl)propane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yldisulfanyl)propane
PubChem CID87128720
Molecular FormulaC6H8F6S2
Molecular Weight258.25 g/mol
Exact Mass258.00
IUPAC Name1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yldisulfanyl)propane
SMILESCC(SSC(C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6S2/c1-3(5(7,8)9)13-14-4(2)6(10,11)12/h3-4H,1-2H3
InChIKeyDWFKQRZKBRFZRK-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 54.27
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
Trifluoromethyl n-propyl disulfide
CID 550486
Bis(trifluoroethyl)dithio
CID 15036106
1,1,1,4,4,4-Hexafluorobutane-2,3-dithiol
CID 58489749
2-Fluoro-1-(2-fluoropropyldisulfanyl)propane
CID 13459592
Trifluoromethyl S-butyl disulfide
CID 545343
Trifluoromethyl isopropyl disulfide
CID 550487
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
3,3,4,4,4-Pentafluorobutane-2-thiol
CID 57032580
3,3-Difluorobutane-1-thiol
CID 84647903

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yldisulfanyl)propane?
The IUPAC name of 1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yldisulfanyl)propane (CID 87128720) is 1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yldisulfanyl)propane.
What is the SMILES notation for 1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yldisulfanyl)propane?
The canonical SMILES for 1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yldisulfanyl)propane is CC(SSC(C)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yldisulfanyl)propane?
The InChIKey is DWFKQRZKBRFZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6S2/c1-3(5(7,8)9)13-14-4(2)6(10,11)12/h3-4H,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yldisulfanyl)propane?
1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yldisulfanyl)propane has a molecular weight of 258.25 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(1,1,1-trifluoropropan-2-yldisulfanyl)propane is sourced from PubChem (CID 87128720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).