1,1,1,2,2,3,3-heptafluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane

C5H2F10S2 — CID 87154450

IUPAC1,1,1,2,2,3,3-heptafluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane
SMILESFC(F)(F)CSSC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H2F10S2/c6-2(7,8)1-16-17-5(14,15)3(9,10)4(11,12)13/h1H2
InChIKeyHHZKMQCZJGGCEI-UHFFFAOYSA-N
MW316.19 g/mol
LogP4.72
Rot. Bonds4

About 1,1,1,2,2,3,3-heptafluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane

1,1,1,2,2,3,3-heptafluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane (PubChem CID 87154450) has the molecular formula C5H2F10S2 and a molecular weight of 316.19 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane
PubChem CID87154450
Molecular FormulaC5H2F10S2
Molecular Weight316.19 g/mol
Exact Mass315.94
IUPAC Name1,1,1,2,2,3,3-heptafluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane
SMILESFC(F)(F)CSSC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H2F10S2/c6-2(7,8)1-16-17-5(14,15)3(9,10)4(11,12)13/h1H2
InChIKeyHHZKMQCZJGGCEI-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 54.72
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

Bis(trifluoroethyl)dithio
CID 15036106
1,1,1,4,4,4-Hexafluorobutane-2,3-dithiol
CID 58489749
1,1,1,4,4,4-Hexafluoro-3-sulfanylbutane-2-thione
CID 91568617
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
Bis(3,3,3-trifluoropropyl) disulfide
CID 87127999
1,1,1,2,2-Pentafluoro-3-(2,2,3,3,3-pentafluoropropyldisulfanyl)propane
CID 87128375
1,1,1-Trifluoro-2-(1,1,1-trifluoropropan-2-yldisulfanyl)propane
CID 87128720
2-(Ethyldisulfanyl)-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
CID 87154393
1-(Ethyldisulfanyl)-1,1,2,2,3,3,3-heptafluoropropane
CID 87154407
1,1,1,2,2,3,3,4,4-Nonafluoro-4-(2,2,2-trifluoroethyldisulfanyl)butane
CID 87154423
1,1,1-Trifluoro-2-(2-fluoroethyldisulfanyl)ethane
CID 87154559

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane (CID 87154450) is 1,1,1,2,2,3,3-heptafluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane is FC(F)(F)CSSC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane?
The InChIKey is HHZKMQCZJGGCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F10S2/c6-2(7,8)1-16-17-5(14,15)3(9,10)4(11,12)13/h1H2.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane?
1,1,1,2,2,3,3-heptafluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane has a molecular weight of 316.19 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3-heptafluoro-3-(2,2,2-trifluoroethyldisulfanyl)propane is sourced from PubChem (CID 87154450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).