(3E)-3-(trifluoromethylsulfonyl)deca-1,3-diene

C11H17F3O2S — CID 10880154

IUPAC(3E)-3-(trifluoromethylsulfonyl)deca-1,3-diene
SMILESC=C/C(=C\CCCCCC)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H17F3O2S/c1-3-5-6-7-8-9-10(4-2)17(15,16)11(12,13)14/h4,9H,2-3,5-8H2,1H3/b10-9+
InChIKeyMKYDAQOAFZNIIT-MDZDMXLPSA-N
MW270.32 g/mol
LogP3.96
Rot. Bonds7

About (3E)-3-(trifluoromethylsulfonyl)deca-1,3-diene

(3E)-3-(trifluoromethylsulfonyl)deca-1,3-diene (PubChem CID 10880154) has the molecular formula C11H17F3O2S and a molecular weight of 270.32 g/mol. Its IUPAC name is (3E)-3-(trifluoromethylsulfonyl)deca-1,3-diene.

Molecular Properties

Compound Name(3E)-3-(trifluoromethylsulfonyl)deca-1,3-diene
PubChem CID10880154
Molecular FormulaC11H17F3O2S
Molecular Weight270.32 g/mol
Exact Mass270.09
IUPAC Name(3E)-3-(trifluoromethylsulfonyl)deca-1,3-diene
SMILESC=C/C(=C\CCCCCC)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H17F3O2S/c1-3-5-6-7-8-9-10(4-2)17(15,16)11(12,13)14/h4,9H,2-3,5-8H2,1H3/b10-9+
InChIKeyMKYDAQOAFZNIIT-MDZDMXLPSA-N
XLogP3.96
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tetradeca-2,4,6-triene;trifluoromethanesulfonic acid
CID 87526076
(E)-2-(trifluoromethylsulfonyl)hept-2-ene
CID 88929975
9-Butyl-10-fluoro-3-methylsulfonylcyclodeca-1,2,4,6,9-pentaene
CID 91386725
(2Z,4E)-1,1,1-trifluoro-5,9-dimethyl-2-(trifluoromethylsulfonyl)deca-2,4,8-triene
CID 118400659
(3E,5Z)-8,8-difluoro-4-methylsulfonylocta-1,3,5-triene
CID 155049764
(E)-1-(trifluoromethylsulfonyl)non-2-ene
CID 11021552

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(trifluoromethylsulfonyl)deca-1,3-diene?
The IUPAC name of (3E)-3-(trifluoromethylsulfonyl)deca-1,3-diene (CID 10880154) is (3E)-3-(trifluoromethylsulfonyl)deca-1,3-diene.
What is the SMILES notation for (3E)-3-(trifluoromethylsulfonyl)deca-1,3-diene?
The canonical SMILES for (3E)-3-(trifluoromethylsulfonyl)deca-1,3-diene is C=C/C(=C\CCCCCC)S(=O)(=O)C(F)(F)F.
What is the InChIKey of (3E)-3-(trifluoromethylsulfonyl)deca-1,3-diene?
The InChIKey is MKYDAQOAFZNIIT-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H17F3O2S/c1-3-5-6-7-8-9-10(4-2)17(15,16)11(12,13)14/h4,9H,2-3,5-8H2,1H3/b10-9+.
What are the key properties of (3E)-3-(trifluoromethylsulfonyl)deca-1,3-diene?
(3E)-3-(trifluoromethylsulfonyl)deca-1,3-diene has a molecular weight of 270.32 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(trifluoromethylsulfonyl)deca-1,3-diene is sourced from PubChem (CID 10880154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).