11-(trifluoromethylsulfanyl)undec-1-ene

C12H21F3S — CID 141487430

IUPAC11-(trifluoromethylsulfanyl)undec-1-ene
SMILESC=CCCCCCCCCCSC(F)(F)F
InChIInChI=1S/C12H21F3S/c1-2-3-4-5-6-7-8-9-10-11-16-12(13,14)15/h2H,1,3-11H2
InChIKeyTVDFAISDGQHUAN-UHFFFAOYSA-N
MW254.36 g/mol
LogP5.55
Rot. Bonds10

About 11-(trifluoromethylsulfanyl)undec-1-ene

11-(trifluoromethylsulfanyl)undec-1-ene (PubChem CID 141487430) has the molecular formula C12H21F3S and a molecular weight of 254.36 g/mol. Its IUPAC name is 11-(trifluoromethylsulfanyl)undec-1-ene.

Molecular Properties

Compound Name11-(trifluoromethylsulfanyl)undec-1-ene
PubChem CID141487430
Molecular FormulaC12H21F3S
Molecular Weight254.36 g/mol
Exact Mass254.13
IUPAC Name11-(trifluoromethylsulfanyl)undec-1-ene
SMILESC=CCCCCCCCCCSC(F)(F)F
InChIInChI=1S/C12H21F3S/c1-2-3-4-5-6-7-8-9-10-11-16-12(13,14)15/h2H,1,3-11H2
InChIKeyTVDFAISDGQHUAN-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.36
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-(trifluoromethylsulfanyl)dec-1-ene
CID 166440967
(E)-1-(trifluoromethylsulfanyl)oct-1-ene
CID 166441190
(E)-1-(trifluoromethylsulfanyl)dodec-1-ene
CID 166441191
(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
6,6,7,7,7-Pentafluoro-3-(6,6,7,7,7-pentafluorohept-1-en-3-ylsulfanyl)hept-1-ene
CID 88230083
10-Deca-1,9-dien-5-ylsulfanyl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
CID 122593493
6-(Trifluoromethylsulfanyl)hex-1-ene
CID 125473360
1-(4,4,5,5,5-Pentafluoropentylsulfinyl)non-1-ene
CID 175898942
(E)-1-propylsulfanyldec-1-ene
CID 12977961
S-undec-10-enyl 2,2,2-trifluoroethanethioate
CID 15481057

Frequently Asked Questions

What is the IUPAC name of 11-(trifluoromethylsulfanyl)undec-1-ene?
The IUPAC name of 11-(trifluoromethylsulfanyl)undec-1-ene (CID 141487430) is 11-(trifluoromethylsulfanyl)undec-1-ene.
What is the SMILES notation for 11-(trifluoromethylsulfanyl)undec-1-ene?
The canonical SMILES for 11-(trifluoromethylsulfanyl)undec-1-ene is C=CCCCCCCCCCSC(F)(F)F.
What is the InChIKey of 11-(trifluoromethylsulfanyl)undec-1-ene?
The InChIKey is TVDFAISDGQHUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3S/c1-2-3-4-5-6-7-8-9-10-11-16-12(13,14)15/h2H,1,3-11H2.
What are the key properties of 11-(trifluoromethylsulfanyl)undec-1-ene?
11-(trifluoromethylsulfanyl)undec-1-ene has a molecular weight of 254.36 g/mol, XLogP of 5.55, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(trifluoromethylsulfanyl)undec-1-ene is sourced from PubChem (CID 141487430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).