(E)-7-ethenylsulfanyl-7-methyl-6-(trifluoromethyl)oct-3-ene

C12H19F3S — CID 174272912

IUPAC(E)-7-ethenylsulfanyl-7-methyl-6-(trifluoromethyl)oct-3-ene
SMILESC=CSC(C)(C)C(C/C=C/CC)C(F)(F)F
InChIInChI=1S/C12H19F3S/c1-5-7-8-9-10(12(13,14)15)11(3,4)16-6-2/h6-8,10H,2,5,9H2,1,3-4H3/b8-7+
InChIKeyYEQWFYDREOMPRD-BQYQJAHWSA-N
MW252.34 g/mol
LogP5.18
Rot. Bonds6

About (E)-7-ethenylsulfanyl-7-methyl-6-(trifluoromethyl)oct-3-ene

(E)-7-ethenylsulfanyl-7-methyl-6-(trifluoromethyl)oct-3-ene (PubChem CID 174272912) has the molecular formula C12H19F3S and a molecular weight of 252.34 g/mol. Its IUPAC name is (E)-7-ethenylsulfanyl-7-methyl-6-(trifluoromethyl)oct-3-ene.

Molecular Properties

Compound Name(E)-7-ethenylsulfanyl-7-methyl-6-(trifluoromethyl)oct-3-ene
PubChem CID174272912
Molecular FormulaC12H19F3S
Molecular Weight252.34 g/mol
Exact Mass252.12
IUPAC Name(E)-7-ethenylsulfanyl-7-methyl-6-(trifluoromethyl)oct-3-ene
SMILESC=CSC(C)(C)C(C/C=C/CC)C(F)(F)F
InChIInChI=1S/C12H19F3S/c1-5-7-8-9-10(12(13,14)15)11(3,4)16-6-2/h6-8,10H,2,5,9H2,1,3-4H3/b8-7+
InChIKeyYEQWFYDREOMPRD-BQYQJAHWSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.34
LogP ≤ 55.18
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

(E)-2,3-dimethyl-1-(trifluoromethylsulfanyl)octadec-4-ene
CID 89252463
6-Fluoro-3,6-dimethyl-5-(methylsulfanylmethyl)hept-1-ene
CID 123687972
1-Methylsulfanyl-4-(trifluoromethyl)cyclohexene
CID 134474834
1-(Trifluoromethylsulfanyl)non-4-ene
CID 141487431
(Z)-5-fluoro-6-methyl-1-methylsulfanylhept-3-ene
CID 144197213
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
(E)-2,3-dimethyl-1-(trifluoromethylsulfanyl)octadec-4-ene;ethane
CID 157961021
(E)-5,5,5-trifluoro-1-methylsulfanyl-3-propan-2-ylpent-1-ene
CID 172295577
5-(Difluoromethyl)-3-methyl-5-methylsulfanylcyclohexene
CID 173055684
2,6-Dimethyl-8-(trifluoromethylsulfanyl)oct-2-ene
CID 174812579

Frequently Asked Questions

What is the IUPAC name of (E)-7-ethenylsulfanyl-7-methyl-6-(trifluoromethyl)oct-3-ene?
The IUPAC name of (E)-7-ethenylsulfanyl-7-methyl-6-(trifluoromethyl)oct-3-ene (CID 174272912) is (E)-7-ethenylsulfanyl-7-methyl-6-(trifluoromethyl)oct-3-ene.
What is the SMILES notation for (E)-7-ethenylsulfanyl-7-methyl-6-(trifluoromethyl)oct-3-ene?
The canonical SMILES for (E)-7-ethenylsulfanyl-7-methyl-6-(trifluoromethyl)oct-3-ene is C=CSC(C)(C)C(C/C=C/CC)C(F)(F)F.
What is the InChIKey of (E)-7-ethenylsulfanyl-7-methyl-6-(trifluoromethyl)oct-3-ene?
The InChIKey is YEQWFYDREOMPRD-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H19F3S/c1-5-7-8-9-10(12(13,14)15)11(3,4)16-6-2/h6-8,10H,2,5,9H2,1,3-4H3/b8-7+.
What are the key properties of (E)-7-ethenylsulfanyl-7-methyl-6-(trifluoromethyl)oct-3-ene?
(E)-7-ethenylsulfanyl-7-methyl-6-(trifluoromethyl)oct-3-ene has a molecular weight of 252.34 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-ethenylsulfanyl-7-methyl-6-(trifluoromethyl)oct-3-ene is sourced from PubChem (CID 174272912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).