1-(ethyldisulfanyl)-1,1,2,2,3,3,3-heptafluoropropane

C5H5F7S2 — CID 87154407

IUPAC1-(ethyldisulfanyl)-1,1,2,2,3,3,3-heptafluoropropane
SMILESCCSSC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H5F7S2/c1-2-13-14-5(11,12)3(6,7)4(8,9)10/h2H2,1H3
InChIKeyLJPKGTSQGFSRMM-UHFFFAOYSA-N
MW262.21 g/mol
LogP4.18
Rot. Bonds4

About 1-(ethyldisulfanyl)-1,1,2,2,3,3,3-heptafluoropropane

1-(ethyldisulfanyl)-1,1,2,2,3,3,3-heptafluoropropane (PubChem CID 87154407) has the molecular formula C5H5F7S2 and a molecular weight of 262.21 g/mol. Its IUPAC name is 1-(ethyldisulfanyl)-1,1,2,2,3,3,3-heptafluoropropane.

Molecular Properties

Compound Name1-(ethyldisulfanyl)-1,1,2,2,3,3,3-heptafluoropropane
PubChem CID87154407
Molecular FormulaC5H5F7S2
Molecular Weight262.21 g/mol
Exact Mass261.97
IUPAC Name1-(ethyldisulfanyl)-1,1,2,2,3,3,3-heptafluoropropane
SMILESCCSSC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H5F7S2/c1-2-13-14-5(11,12)3(6,7)4(8,9)10/h2H2,1H3
InChIKeyLJPKGTSQGFSRMM-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 54.18
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

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CID 546629
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CID 15036106
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CID 58489749
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CID 13459592
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CID 13708908
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CID 545343
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CID 550487
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CID 71334962
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CID 14665818
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CID 15655246
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Frequently Asked Questions

What is the IUPAC name of 1-(ethyldisulfanyl)-1,1,2,2,3,3,3-heptafluoropropane?
The IUPAC name of 1-(ethyldisulfanyl)-1,1,2,2,3,3,3-heptafluoropropane (CID 87154407) is 1-(ethyldisulfanyl)-1,1,2,2,3,3,3-heptafluoropropane.
What is the SMILES notation for 1-(ethyldisulfanyl)-1,1,2,2,3,3,3-heptafluoropropane?
The canonical SMILES for 1-(ethyldisulfanyl)-1,1,2,2,3,3,3-heptafluoropropane is CCSSC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(ethyldisulfanyl)-1,1,2,2,3,3,3-heptafluoropropane?
The InChIKey is LJPKGTSQGFSRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F7S2/c1-2-13-14-5(11,12)3(6,7)4(8,9)10/h2H2,1H3.
What are the key properties of 1-(ethyldisulfanyl)-1,1,2,2,3,3,3-heptafluoropropane?
1-(ethyldisulfanyl)-1,1,2,2,3,3,3-heptafluoropropane has a molecular weight of 262.21 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethyldisulfanyl)-1,1,2,2,3,3,3-heptafluoropropane is sourced from PubChem (CID 87154407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).