(2E,4Z,6Z)-1,1,1-trifluoroocta-2,4,6-triene

C8H9F3 — CID 143910776

IUPAC(2E,4Z,6Z)-1,1,1-trifluoroocta-2,4,6-triene
SMILESC/C=C\C=C/C=C/C(F)(F)F
InChIInChI=1S/C8H9F3/c1-2-3-4-5-6-7-8(9,10)11/h2-7H,1H3/b3-2-,5-4-,7-6+
InChIKeyPDUZRMFHZOYJJF-MUVPYGFYSA-N
MW162.15 g/mol
LogP3.24
Rot. Bonds2

About (2E,4Z,6Z)-1,1,1-trifluoroocta-2,4,6-triene

(2E,4Z,6Z)-1,1,1-trifluoroocta-2,4,6-triene (PubChem CID 143910776) has the molecular formula C8H9F3 and a molecular weight of 162.15 g/mol. Its IUPAC name is (2E,4Z,6Z)-1,1,1-trifluoroocta-2,4,6-triene.

Molecular Properties

Compound Name(2E,4Z,6Z)-1,1,1-trifluoroocta-2,4,6-triene
PubChem CID143910776
Molecular FormulaC8H9F3
Molecular Weight162.15 g/mol
Exact Mass162.07
IUPAC Name(2E,4Z,6Z)-1,1,1-trifluoroocta-2,4,6-triene
SMILESC/C=C\C=C/C=C/C(F)(F)F
InChIInChI=1S/C8H9F3/c1-2-3-4-5-6-7-8(9,10)11/h2-7H,1H3/b3-2-,5-4-,7-6+
InChIKeyPDUZRMFHZOYJJF-MUVPYGFYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,6,6,6-hexafluorohexa-2,4-diene
CID 71367258
methane;(2E,4Z,6E)-octa-2,4,6-triene
CID 176713447
(4E)-hexa-2,4-diene
CID 22435466
hendecahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109-pentapentacontaene
CID 90980447
(3Z,5Z,7Z)-nona-1,3,5,7-tetraene
CID 142107370
pentahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103-dopentacontaene
CID 90936747
pentahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63-dotriacontaene
CID 90694623
pentacosahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123-dohexacontaene
CID 91034830
heptaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85-tritetracontaene
CID 91440201
(3E,5E,7E)-nona-1,3,5,7-tetraene
CID 15570287
ethane;(2Z,4Z)-hexa-2,4-diene
CID 90738434
(3Z,5Z)-hepta-1,3,5-triene;methane
CID 143380753

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6Z)-1,1,1-trifluoroocta-2,4,6-triene?
The IUPAC name of (2E,4Z,6Z)-1,1,1-trifluoroocta-2,4,6-triene (CID 143910776) is (2E,4Z,6Z)-1,1,1-trifluoroocta-2,4,6-triene.
What is the SMILES notation for (2E,4Z,6Z)-1,1,1-trifluoroocta-2,4,6-triene?
The canonical SMILES for (2E,4Z,6Z)-1,1,1-trifluoroocta-2,4,6-triene is C/C=C\C=C/C=C/C(F)(F)F.
What is the InChIKey of (2E,4Z,6Z)-1,1,1-trifluoroocta-2,4,6-triene?
The InChIKey is PDUZRMFHZOYJJF-MUVPYGFYSA-N. The full InChI is InChI=1S/C8H9F3/c1-2-3-4-5-6-7-8(9,10)11/h2-7H,1H3/b3-2-,5-4-,7-6+.
What are the key properties of (2E,4Z,6Z)-1,1,1-trifluoroocta-2,4,6-triene?
(2E,4Z,6Z)-1,1,1-trifluoroocta-2,4,6-triene has a molecular weight of 162.15 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6Z)-1,1,1-trifluoroocta-2,4,6-triene is sourced from PubChem (CID 143910776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).