(E)-1-(trifluoromethylsulfanyl)oct-1-ene

C9H15F3S — CID 166441190

IUPAC(E)-1-(trifluoromethylsulfanyl)oct-1-ene
SMILESCCCCCC/C=C/SC(F)(F)F
InChIInChI=1S/C9H15F3S/c1-2-3-4-5-6-7-8-13-9(10,11)12/h7-8H,2-6H2,1H3/b8-7+
InChIKeyINAWIIHHWRNERP-BQYQJAHWSA-N
MW212.28 g/mol
LogP4.72
Rot. Bonds6

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

(E)-1-(trifluoromethylsulfanyl)oct-1-ene (PubChem CID 166441190) has the molecular formula C9H15F3S and a molecular weight of 212.28 g/mol. Its IUPAC name is (E)-1-(trifluoromethylsulfanyl)oct-1-ene.

Molecular Properties

Compound Name(E)-1-(trifluoromethylsulfanyl)oct-1-ene
PubChem CID166441190
Molecular FormulaC9H15F3S
Molecular Weight212.28 g/mol
Exact Mass212.08
IUPAC Name(E)-1-(trifluoromethylsulfanyl)oct-1-ene
SMILESCCCCCC/C=C/SC(F)(F)F
InChIInChI=1S/C9H15F3S/c1-2-3-4-5-6-7-8-13-9(10,11)12/h7-8H,2-6H2,1H3/b8-7+
InChIKeyINAWIIHHWRNERP-BQYQJAHWSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 54.72
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)dodec-1-ene
CID 166441191
6,6,7,7,7-Pentafluoro-1-(6,6,7,7,7-pentafluorohept-1-enylsulfanyl)hept-1-ene
CID 57287545
Pentafluoro(oct-1-en-3-yl)-lambda6-sulfane
CID 58281549
1,1-Difluoro-7-methylsulfanylhept-1-ene
CID 87187624
(E)-1-(trifluoromethoxysulfanyl)oct-1-ene
CID 141407643
6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Heptadecafluorotridec-1-ene-3-thiol
CID 146315674
(4S)-4-(trifluoromethylsulfanyl)tetradec-1-ene
CID 132524330
(E)-1-(trifluoromethylsulfanyl)hept-1-ene
CID 132561267

Frequently Asked Questions

What is the IUPAC name of (E)-1-(trifluoromethylsulfanyl)oct-1-ene?
The IUPAC name of (E)-1-(trifluoromethylsulfanyl)oct-1-ene (CID 166441190) is (E)-1-(trifluoromethylsulfanyl)oct-1-ene.
What is the SMILES notation for (E)-1-(trifluoromethylsulfanyl)oct-1-ene?
The canonical SMILES for (E)-1-(trifluoromethylsulfanyl)oct-1-ene is CCCCCC/C=C/SC(F)(F)F.
What is the InChIKey of (E)-1-(trifluoromethylsulfanyl)oct-1-ene?
The InChIKey is INAWIIHHWRNERP-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H15F3S/c1-2-3-4-5-6-7-8-13-9(10,11)12/h7-8H,2-6H2,1H3/b8-7+.
What are the key properties of (E)-1-(trifluoromethylsulfanyl)oct-1-ene?
(E)-1-(trifluoromethylsulfanyl)oct-1-ene has a molecular weight of 212.28 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(trifluoromethylsulfanyl)oct-1-ene is sourced from PubChem (CID 166441190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).