[(E)-dodec-1-enyl]-pentafluoro-λ6-sulfane

C12H23F5S — CID 59366546

IUPAC[(E)-dodec-1-enyl]-pentafluoro-λ6-sulfane
SMILESCCCCCCCCCC/C=C/S(F)(F)(F)(F)F
InChIInChI=1S/C12H23F5S/c1-2-3-4-5-6-7-8-9-10-11-12-18(13,14,15,16)17/h11-12H,2-10H2,1H3/b12-11+
InChIKeyUPJSHFOBSQWGAW-VAWYXSNFSA-N
MW294.37 g/mol
LogP7.33
Rot. Bonds10

About [(E)-dodec-1-enyl]-pentafluoro-λ6-sulfane

[(E)-dodec-1-enyl]-pentafluoro-λ6-sulfane (PubChem CID 59366546) has the molecular formula C12H23F5S and a molecular weight of 294.37 g/mol. Its IUPAC name is [(E)-dodec-1-enyl]-pentafluoro-λ6-sulfane.

Molecular Properties

Compound Name[(E)-dodec-1-enyl]-pentafluoro-λ6-sulfane
PubChem CID59366546
Molecular FormulaC12H23F5S
Molecular Weight294.37 g/mol
Exact Mass294.14
IUPAC Name[(E)-dodec-1-enyl]-pentafluoro-λ6-sulfane
SMILESCCCCCCCCCC/C=C/S(F)(F)(F)(F)F
InChIInChI=1S/C12H23F5S/c1-2-3-4-5-6-7-8-9-10-11-12-18(13,14,15,16)17/h11-12H,2-10H2,1H3/b12-11+
InChIKeyUPJSHFOBSQWGAW-VAWYXSNFSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.37
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-dodec-1-enyl]-pentafluoro-λ6-sulfane?
The IUPAC name of [(E)-dodec-1-enyl]-pentafluoro-λ6-sulfane (CID 59366546) is [(E)-dodec-1-enyl]-pentafluoro-λ6-sulfane.
What is the SMILES notation for [(E)-dodec-1-enyl]-pentafluoro-λ6-sulfane?
The canonical SMILES for [(E)-dodec-1-enyl]-pentafluoro-λ6-sulfane is CCCCCCCCCC/C=C/S(F)(F)(F)(F)F.
What is the InChIKey of [(E)-dodec-1-enyl]-pentafluoro-λ6-sulfane?
The InChIKey is UPJSHFOBSQWGAW-VAWYXSNFSA-N. The full InChI is InChI=1S/C12H23F5S/c1-2-3-4-5-6-7-8-9-10-11-12-18(13,14,15,16)17/h11-12H,2-10H2,1H3/b12-11+.
What are the key properties of [(E)-dodec-1-enyl]-pentafluoro-λ6-sulfane?
[(E)-dodec-1-enyl]-pentafluoro-λ6-sulfane has a molecular weight of 294.37 g/mol, XLogP of 7.33, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dodec-1-enyl]-pentafluoro-λ6-sulfane is sourced from PubChem (CID 59366546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).