(E)-1-(trifluoromethylsulfanyl)dodec-1-ene

C13H23F3S — CID 166441191

IUPAC(E)-1-(trifluoromethylsulfanyl)dodec-1-ene
SMILESCCCCCCCCCC/C=C/SC(F)(F)F
InChIInChI=1S/C13H23F3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13(14,15)16/h11-12H,2-10H2,1H3/b12-11+
InChIKeyOUODOSVVDHWDTI-VAWYXSNFSA-N
MW268.39 g/mol
LogP6.28
Rot. Bonds10

About (E)-1-(trifluoromethylsulfanyl)dodec-1-ene

(E)-1-(trifluoromethylsulfanyl)dodec-1-ene (PubChem CID 166441191) has the molecular formula C13H23F3S and a molecular weight of 268.39 g/mol. Its IUPAC name is (E)-1-(trifluoromethylsulfanyl)dodec-1-ene.

Molecular Properties

Compound Name(E)-1-(trifluoromethylsulfanyl)dodec-1-ene
PubChem CID166441191
Molecular FormulaC13H23F3S
Molecular Weight268.39 g/mol
Exact Mass268.15
IUPAC Name(E)-1-(trifluoromethylsulfanyl)dodec-1-ene
SMILESCCCCCCCCCC/C=C/SC(F)(F)F
InChIInChI=1S/C13H23F3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13(14,15)16/h11-12H,2-10H2,1H3/b12-11+
InChIKeyOUODOSVVDHWDTI-VAWYXSNFSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.39
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

11-(Trifluoromethylsulfanyl)undec-1-ene
CID 141487430
(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-methylsulfanyldec-1-ene
CID 134932392
(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-methylsulfanyloct-1-ene
CID 134933377
(Z)-1-(trifluoromethylsulfanyl)dec-1-ene
CID 166440967
(E)-1-(trifluoromethylsulfanyl)oct-1-ene
CID 166441190
[(Z)-dec-1-enyl]-pentafluoro-lambda6-sulfane
CID 176437559
(E)-1-methylsulfanyldodec-1-ene
CID 12593926
(E)-15,15,16,16,16-pentafluoro-1,3-bis(methylsulfanyl)hexadec-1-ene
CID 23365973
15,15,16,16,16-Pentafluoro-1,3-bis(methylsulfanyl)hexadec-1-ene
CID 54043595
6,6,7,7,7-Pentafluoro-1-(6,6,7,7,7-pentafluorohept-1-enylsulfanyl)hept-1-ene
CID 57287545
pentafluoro-[(E)-undec-1-enyl]-lambda6-sulfane
CID 59366532
[(E)-dodec-1-enyl]-pentafluoro-lambda6-sulfane
CID 59366546

Frequently Asked Questions

What is the IUPAC name of (E)-1-(trifluoromethylsulfanyl)dodec-1-ene?
The IUPAC name of (E)-1-(trifluoromethylsulfanyl)dodec-1-ene (CID 166441191) is (E)-1-(trifluoromethylsulfanyl)dodec-1-ene.
What is the SMILES notation for (E)-1-(trifluoromethylsulfanyl)dodec-1-ene?
The canonical SMILES for (E)-1-(trifluoromethylsulfanyl)dodec-1-ene is CCCCCCCCCC/C=C/SC(F)(F)F.
What is the InChIKey of (E)-1-(trifluoromethylsulfanyl)dodec-1-ene?
The InChIKey is OUODOSVVDHWDTI-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H23F3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13(14,15)16/h11-12H,2-10H2,1H3/b12-11+.
What are the key properties of (E)-1-(trifluoromethylsulfanyl)dodec-1-ene?
(E)-1-(trifluoromethylsulfanyl)dodec-1-ene has a molecular weight of 268.39 g/mol, XLogP of 6.28, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(trifluoromethylsulfanyl)dodec-1-ene is sourced from PubChem (CID 166441191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).