11-(trifluoromethylsulfanyl)undec-5-ene

C12H21F3S — CID 141487433

IUPAC11-(trifluoromethylsulfanyl)undec-5-ene
SMILESCCCCC=CCCCCCSC(F)(F)F
InChIInChI=1S/C12H21F3S/c1-2-3-4-5-6-7-8-9-10-11-16-12(13,14)15/h5-6H,2-4,7-11H2,1H3
InChIKeyBWLKWVOXSIYHOE-UHFFFAOYSA-N
MW254.36 g/mol
LogP5.55
Rot. Bonds9

About 11-(trifluoromethylsulfanyl)undec-5-ene

11-(trifluoromethylsulfanyl)undec-5-ene (PubChem CID 141487433) has the molecular formula C12H21F3S and a molecular weight of 254.36 g/mol. Its IUPAC name is 11-(trifluoromethylsulfanyl)undec-5-ene.

Molecular Properties

Compound Name11-(trifluoromethylsulfanyl)undec-5-ene
PubChem CID141487433
Molecular FormulaC12H21F3S
Molecular Weight254.36 g/mol
Exact Mass254.13
IUPAC Name11-(trifluoromethylsulfanyl)undec-5-ene
SMILESCCCCC=CCCCCCSC(F)(F)F
InChIInChI=1S/C12H21F3S/c1-2-3-4-5-6-7-8-9-10-11-16-12(13,14)15/h5-6H,2-4,7-11H2,1H3
InChIKeyBWLKWVOXSIYHOE-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
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

cis-(5R)-Fluoro-(6R)-methylsulfanyl-cyclooctene
CID 14113332
(2E)-3,7-dimethyl-1-(trifluoromethylsulfanyl)octa-2,6-diene
CID 125476027
(E)-1-ethylsulfanyl-5,5,6,6,7,7,7-heptafluorohept-3-ene
CID 134896906
(E)-1-methylsulfanyloct-3-ene
CID 14024902
(3R,4R)-3-fluoro-4-methylsulfanylcyclohexene
CID 15131262
(3R,6R)-3-fluoro-6-methylsulfanylcyclohexene
CID 15131263
(1Z,5S,6S)-5-fluoro-6-methylsulfanylcyclooctene
CID 101623393
(E)-3-ethyl-4,4,5,5,6,6,6-heptafluoro-1-methylsulfanylhex-2-ene
CID 87187781
3-Ethyl-4,4,5,5,6,6,6-heptafluoro-1-propylsulfanylhex-2-ene
CID 91064009
3-Ethyl-4,4,5,5,6,6,6-heptafluoro-1-methylsulfanylhex-2-ene
CID 91412034
4,4,5,5,6,6,6-Heptafluoro-1-propylsulfanylhex-2-ene
CID 91802529
1-(Difluoromethylsulfanyl)-3,7,11-trimethyldodeca-2,6,10-triene
CID 123300906

Frequently Asked Questions

What is the IUPAC name of 11-(trifluoromethylsulfanyl)undec-5-ene?
The IUPAC name of 11-(trifluoromethylsulfanyl)undec-5-ene (CID 141487433) is 11-(trifluoromethylsulfanyl)undec-5-ene.
What is the SMILES notation for 11-(trifluoromethylsulfanyl)undec-5-ene?
The canonical SMILES for 11-(trifluoromethylsulfanyl)undec-5-ene is CCCCC=CCCCCCSC(F)(F)F.
What is the InChIKey of 11-(trifluoromethylsulfanyl)undec-5-ene?
The InChIKey is BWLKWVOXSIYHOE-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/h5-6H,2-4,7-11H2,1H3.
What are the key properties of 11-(trifluoromethylsulfanyl)undec-5-ene?
11-(trifluoromethylsulfanyl)undec-5-ene has a molecular weight of 254.36 g/mol, XLogP of 5.55, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(trifluoromethylsulfanyl)undec-5-ene is sourced from PubChem (CID 141487433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).