ethene;(2E,4E)-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexa-2,4-diene

C10H15F3S — CID 142207427

IUPACethene;(2E,4E)-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexa-2,4-diene
SMILESC=C.CS/C(C)=C/C=C(\C)C(F)(F)F
InChIInChI=1S/C8H11F3S.C2H4/c1-6(8(9,10)11)4-5-7(2)12-3;1-2/h4-5H,1-3H3;1-2H2/b6-4+,7-5+;
InChIKeyAGADNJINQSZWQC-GWDFKRKCSA-N
MW224.29 g/mol
LogP4.56
Rot. Bonds2

About ethene;(2E,4E)-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexa-2,4-diene

ethene;(2E,4E)-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexa-2,4-diene (PubChem CID 142207427) has the molecular formula C10H15F3S and a molecular weight of 224.29 g/mol. Its IUPAC name is ethene;(2E,4E)-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexa-2,4-diene.

Molecular Properties

Compound Nameethene;(2E,4E)-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexa-2,4-diene
PubChem CID142207427
Molecular FormulaC10H15F3S
Molecular Weight224.29 g/mol
Exact Mass224.08
IUPAC Nameethene;(2E,4E)-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexa-2,4-diene
SMILESC=C.CS/C(C)=C/C=C(\C)C(F)(F)F
InChIInChI=1S/C8H11F3S.C2H4/c1-6(8(9,10)11)4-5-7(2)12-3;1-2/h4-5H,1-3H3;1-2H2/b6-4+,7-5+;
InChIKeyAGADNJINQSZWQC-GWDFKRKCSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;(2E,4E)-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexa-2,4-diene?
The IUPAC name of ethene;(2E,4E)-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexa-2,4-diene (CID 142207427) is ethene;(2E,4E)-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexa-2,4-diene.
What is the SMILES notation for ethene;(2E,4E)-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexa-2,4-diene?
The canonical SMILES for ethene;(2E,4E)-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexa-2,4-diene is C=C.CS/C(C)=C/C=C(\C)C(F)(F)F.
What is the InChIKey of ethene;(2E,4E)-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexa-2,4-diene?
The InChIKey is AGADNJINQSZWQC-GWDFKRKCSA-N. The full InChI is InChI=1S/C8H11F3S.C2H4/c1-6(8(9,10)11)4-5-7(2)12-3;1-2/h4-5H,1-3H3;1-2H2/b6-4+,7-5+;.
What are the key properties of ethene;(2E,4E)-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexa-2,4-diene?
ethene;(2E,4E)-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexa-2,4-diene has a molecular weight of 224.29 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(2E,4E)-1,1,1-trifluoro-2-methyl-5-methylsulfanylhexa-2,4-diene is sourced from PubChem (CID 142207427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).