2,6-dimethyl-8-(trifluoromethylsulfanyl)oct-2-ene

C11H19F3S — CID 174812579

IUPAC2,6-dimethyl-8-(trifluoromethylsulfanyl)oct-2-ene
SMILESCC(C)=CCCC(C)CCSC(F)(F)F
InChIInChI=1S/C11H19F3S/c1-9(2)5-4-6-10(3)7-8-15-11(12,13)14/h5,10H,4,6-8H2,1-3H3
InChIKeyNXRGESTXENNRID-UHFFFAOYSA-N
MW240.33 g/mol
LogP5.01
Rot. Bonds6

About 2,6-dimethyl-8-(trifluoromethylsulfanyl)oct-2-ene

2,6-dimethyl-8-(trifluoromethylsulfanyl)oct-2-ene (PubChem CID 174812579) has the molecular formula C11H19F3S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2,6-dimethyl-8-(trifluoromethylsulfanyl)oct-2-ene.

Molecular Properties

Compound Name2,6-dimethyl-8-(trifluoromethylsulfanyl)oct-2-ene
PubChem CID174812579
Molecular FormulaC11H19F3S
Molecular Weight240.33 g/mol
Exact Mass240.12
IUPAC Name2,6-dimethyl-8-(trifluoromethylsulfanyl)oct-2-ene
SMILESCC(C)=CCCC(C)CCSC(F)(F)F
InChIInChI=1S/C11H19F3S/c1-9(2)5-4-6-10(3)7-8-15-11(12,13)14/h5,10H,4,6-8H2,1-3H3
InChIKeyNXRGESTXENNRID-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.33
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-3,7-dimethyl-1-(trifluoromethylsulfanyl)octa-2,6-diene
CID 125476027
3,7-Dimethyloct-6-enyl(dimethyl)sulfanium;trifluoromethanesulfonate
CID 18786838
3-(Difluoromethyl)-2,4-dimethyl-1-(2,2,2-trifluoroethylsulfanyl)cyclohexa-1,4-diene
CID 123833213
1-Methylsulfanyl-4-(trifluoromethyl)cyclohexene
CID 134474834
[3,7-Dimethyloct-6-enyl(dimethyl)-lambda4-sulfanyl] trifluoromethanesulfonate
CID 139683366
1-Methyl-4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexene
CID 145543781
5-Methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene
CID 147361574
(E,5S)-6-methyl-5-methylsulfanyl-1-(3,3,3-trifluoropropylsulfanyl)hept-2-ene
CID 147599753
[5-(1,1-Difluoroethyl)cyclohepten-1-yl]-difluoro-methyl-lambda4-sulfane
CID 156532344
(E)-4-ethyl-1-(trifluoromethylsulfanyl)hept-3-ene
CID 158688767
1-Ethylidene-4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexane
CID 163917748
(E)-3,6-dimethyl-2-propan-2-ylsulfanyl-4-(trifluoromethyl)hept-3-ene
CID 163995584

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-8-(trifluoromethylsulfanyl)oct-2-ene?
The IUPAC name of 2,6-dimethyl-8-(trifluoromethylsulfanyl)oct-2-ene (CID 174812579) is 2,6-dimethyl-8-(trifluoromethylsulfanyl)oct-2-ene.
What is the SMILES notation for 2,6-dimethyl-8-(trifluoromethylsulfanyl)oct-2-ene?
The canonical SMILES for 2,6-dimethyl-8-(trifluoromethylsulfanyl)oct-2-ene is CC(C)=CCCC(C)CCSC(F)(F)F.
What is the InChIKey of 2,6-dimethyl-8-(trifluoromethylsulfanyl)oct-2-ene?
The InChIKey is NXRGESTXENNRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3S/c1-9(2)5-4-6-10(3)7-8-15-11(12,13)14/h5,10H,4,6-8H2,1-3H3.
What are the key properties of 2,6-dimethyl-8-(trifluoromethylsulfanyl)oct-2-ene?
2,6-dimethyl-8-(trifluoromethylsulfanyl)oct-2-ene has a molecular weight of 240.33 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-8-(trifluoromethylsulfanyl)oct-2-ene is sourced from PubChem (CID 174812579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).