2-[(2E,4Z,6E)-10,10,10-trifluorodeca-2,4,6-trien-2-yl]oxyacetaldehyde

C12H15F3O2 — CID 129154793

IUPAC2-[(2E,4Z,6E)-10,10,10-trifluorodeca-2,4,6-trien-2-yl]oxyacetaldehyde
SMILESC/C(=C\C=C/C=C/CCC(F)(F)F)OCC=O
InChIInChI=1S/C12H15F3O2/c1-11(17-10-9-16)7-5-3-2-4-6-8-12(13,14)15/h2-5,7,9H,6,8,10H2,1H3/b4-2+,5-3-,11-7+
InChIKeyIXXHQEARWCMTRK-HYIJJLJUSA-N
MW248.24 g/mol
LogP3.56
Rot. Bonds7

About 2-[(2E,4Z,6E)-10,10,10-trifluorodeca-2,4,6-trien-2-yl]oxyacetaldehyde

2-[(2E,4Z,6E)-10,10,10-trifluorodeca-2,4,6-trien-2-yl]oxyacetaldehyde (PubChem CID 129154793) has the molecular formula C12H15F3O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-[(2E,4Z,6E)-10,10,10-trifluorodeca-2,4,6-trien-2-yl]oxyacetaldehyde.

Molecular Properties

Compound Name2-[(2E,4Z,6E)-10,10,10-trifluorodeca-2,4,6-trien-2-yl]oxyacetaldehyde
PubChem CID129154793
Molecular FormulaC12H15F3O2
Molecular Weight248.24 g/mol
Exact Mass248.10
IUPAC Name2-[(2E,4Z,6E)-10,10,10-trifluorodeca-2,4,6-trien-2-yl]oxyacetaldehyde
SMILESC/C(=C\C=C/C=C/CCC(F)(F)F)OCC=O
InChIInChI=1S/C12H15F3O2/c1-11(17-10-9-16)7-5-3-2-4-6-8-12(13,14)15/h2-5,7,9H,6,8,10H2,1H3/b4-2+,5-3-,11-7+
InChIKeyIXXHQEARWCMTRK-HYIJJLJUSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4Z,6E)-10,10,10-trifluorodeca-2,4,6-trien-2-yl]oxyacetaldehyde?
The IUPAC name of 2-[(2E,4Z,6E)-10,10,10-trifluorodeca-2,4,6-trien-2-yl]oxyacetaldehyde (CID 129154793) is 2-[(2E,4Z,6E)-10,10,10-trifluorodeca-2,4,6-trien-2-yl]oxyacetaldehyde.
What is the SMILES notation for 2-[(2E,4Z,6E)-10,10,10-trifluorodeca-2,4,6-trien-2-yl]oxyacetaldehyde?
The canonical SMILES for 2-[(2E,4Z,6E)-10,10,10-trifluorodeca-2,4,6-trien-2-yl]oxyacetaldehyde is C/C(=C\C=C/C=C/CCC(F)(F)F)OCC=O.
What is the InChIKey of 2-[(2E,4Z,6E)-10,10,10-trifluorodeca-2,4,6-trien-2-yl]oxyacetaldehyde?
The InChIKey is IXXHQEARWCMTRK-HYIJJLJUSA-N. The full InChI is InChI=1S/C12H15F3O2/c1-11(17-10-9-16)7-5-3-2-4-6-8-12(13,14)15/h2-5,7,9H,6,8,10H2,1H3/b4-2+,5-3-,11-7+.
What are the key properties of 2-[(2E,4Z,6E)-10,10,10-trifluorodeca-2,4,6-trien-2-yl]oxyacetaldehyde?
2-[(2E,4Z,6E)-10,10,10-trifluorodeca-2,4,6-trien-2-yl]oxyacetaldehyde has a molecular weight of 248.24 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z,6E)-10,10,10-trifluorodeca-2,4,6-trien-2-yl]oxyacetaldehyde is sourced from PubChem (CID 129154793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).