(1E,3Z,5Z)-4-ethenyl-1-(trifluoromethoxy)hepta-1,3,5-triene

C10H11F3O — CID 173489838

IUPAC(1E,3Z,5Z)-4-ethenyl-1-(trifluoromethoxy)hepta-1,3,5-triene
SMILESC=CC(/C=C\C)=C/C=C/OC(F)(F)F
InChIInChI=1S/C10H11F3O/c1-3-6-9(4-2)7-5-8-14-10(11,12)13/h3-8H,2H2,1H3/b6-3-,8-5+,9-7-
InChIKeyINCUGIZKOZXILP-OMYXKEFPSA-N
MW204.19 g/mol
LogP3.72
Rot. Bonds4

About (1E,3Z,5Z)-4-ethenyl-1-(trifluoromethoxy)hepta-1,3,5-triene

(1E,3Z,5Z)-4-ethenyl-1-(trifluoromethoxy)hepta-1,3,5-triene (PubChem CID 173489838) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is (1E,3Z,5Z)-4-ethenyl-1-(trifluoromethoxy)hepta-1,3,5-triene.

Molecular Properties

Compound Name(1E,3Z,5Z)-4-ethenyl-1-(trifluoromethoxy)hepta-1,3,5-triene
PubChem CID173489838
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name(1E,3Z,5Z)-4-ethenyl-1-(trifluoromethoxy)hepta-1,3,5-triene
SMILESC=CC(/C=C\C)=C/C=C/OC(F)(F)F
InChIInChI=1S/C10H11F3O/c1-3-6-9(4-2)7-5-8-14-10(11,12)13/h3-8H,2H2,1H3/b6-3-,8-5+,9-7-
InChIKeyINCUGIZKOZXILP-OMYXKEFPSA-N
XLogP3.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5Z)-4-ethenyl-1-(trifluoromethoxy)hepta-1,3,5-triene?
The IUPAC name of (1E,3Z,5Z)-4-ethenyl-1-(trifluoromethoxy)hepta-1,3,5-triene (CID 173489838) is (1E,3Z,5Z)-4-ethenyl-1-(trifluoromethoxy)hepta-1,3,5-triene.
What is the SMILES notation for (1E,3Z,5Z)-4-ethenyl-1-(trifluoromethoxy)hepta-1,3,5-triene?
The canonical SMILES for (1E,3Z,5Z)-4-ethenyl-1-(trifluoromethoxy)hepta-1,3,5-triene is C=CC(/C=C\C)=C/C=C/OC(F)(F)F.
What is the InChIKey of (1E,3Z,5Z)-4-ethenyl-1-(trifluoromethoxy)hepta-1,3,5-triene?
The InChIKey is INCUGIZKOZXILP-OMYXKEFPSA-N. The full InChI is InChI=1S/C10H11F3O/c1-3-6-9(4-2)7-5-8-14-10(11,12)13/h3-8H,2H2,1H3/b6-3-,8-5+,9-7-.
What are the key properties of (1E,3Z,5Z)-4-ethenyl-1-(trifluoromethoxy)hepta-1,3,5-triene?
(1E,3Z,5Z)-4-ethenyl-1-(trifluoromethoxy)hepta-1,3,5-triene has a molecular weight of 204.19 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5Z)-4-ethenyl-1-(trifluoromethoxy)hepta-1,3,5-triene is sourced from PubChem (CID 173489838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).