1,1,1-trifluoro-3-(3,3,3-trifluoropropyldisulfanyl)propane

C6H8F6S2 — CID 87127999

IUPAC1,1,1-trifluoro-3-(3,3,3-trifluoropropyldisulfanyl)propane
SMILESFC(F)(F)CCSSCCC(F)(F)F
InChIInChI=1S/C6H8F6S2/c7-5(8,9)1-3-13-14-4-2-6(10,11)12/h1-4H2
InChIKeyDWNJNIHVBVWOMF-UHFFFAOYSA-N
MW258.25 g/mol
LogP4.27
Rot. Bonds5

About 1,1,1-trifluoro-3-(3,3,3-trifluoropropyldisulfanyl)propane

1,1,1-trifluoro-3-(3,3,3-trifluoropropyldisulfanyl)propane (PubChem CID 87127999) has the molecular formula C6H8F6S2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(3,3,3-trifluoropropyldisulfanyl)propane.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(3,3,3-trifluoropropyldisulfanyl)propane
PubChem CID87127999
Molecular FormulaC6H8F6S2
Molecular Weight258.25 g/mol
Exact Mass258.00
IUPAC Name1,1,1-trifluoro-3-(3,3,3-trifluoropropyldisulfanyl)propane
SMILESFC(F)(F)CCSSCCC(F)(F)F
InChIInChI=1S/C6H8F6S2/c7-5(8,9)1-3-13-14-4-2-6(10,11)12/h1-4H2
InChIKeyDWNJNIHVBVWOMF-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

Thiols, C4-10, gamma-omega-perfluoro
CID 109606
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
4,4-Difluorobutane-1-thiol
CID 57204439
2,2,3,4,4,4-Hexafluorobutan-1-thiol
CID 57302437

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(3,3,3-trifluoropropyldisulfanyl)propane?
The IUPAC name of 1,1,1-trifluoro-3-(3,3,3-trifluoropropyldisulfanyl)propane (CID 87127999) is 1,1,1-trifluoro-3-(3,3,3-trifluoropropyldisulfanyl)propane.
What is the SMILES notation for 1,1,1-trifluoro-3-(3,3,3-trifluoropropyldisulfanyl)propane?
The canonical SMILES for 1,1,1-trifluoro-3-(3,3,3-trifluoropropyldisulfanyl)propane is FC(F)(F)CCSSCCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(3,3,3-trifluoropropyldisulfanyl)propane?
The InChIKey is DWNJNIHVBVWOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6S2/c7-5(8,9)1-3-13-14-4-2-6(10,11)12/h1-4H2.
What are the key properties of 1,1,1-trifluoro-3-(3,3,3-trifluoropropyldisulfanyl)propane?
1,1,1-trifluoro-3-(3,3,3-trifluoropropyldisulfanyl)propane has a molecular weight of 258.25 g/mol, XLogP of 4.27, 5 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-(3,3,3-trifluoropropyldisulfanyl)propane is sourced from PubChem (CID 87127999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).