(3E,5Z)-8,8,8-trifluoro-3-(trifluoromethyl)octa-1,3,5-triene

C9H8F6 — CID 134504364

IUPAC(3E,5Z)-8,8,8-trifluoro-3-(trifluoromethyl)octa-1,3,5-triene
SMILESC=C/C(=C\C=C/CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H8F6/c1-2-7(9(13,14)15)5-3-4-6-8(10,11)12/h2-5H,1,6H2/b4-3-,7-5+
InChIKeyLOEQUWGSMWPECI-QVXLNCAUSA-N
MW230.15 g/mol
LogP4.17
Rot. Bonds3

About (3E,5Z)-8,8,8-trifluoro-3-(trifluoromethyl)octa-1,3,5-triene

(3E,5Z)-8,8,8-trifluoro-3-(trifluoromethyl)octa-1,3,5-triene (PubChem CID 134504364) has the molecular formula C9H8F6 and a molecular weight of 230.15 g/mol. Its IUPAC name is (3E,5Z)-8,8,8-trifluoro-3-(trifluoromethyl)octa-1,3,5-triene.

Molecular Properties

Compound Name(3E,5Z)-8,8,8-trifluoro-3-(trifluoromethyl)octa-1,3,5-triene
PubChem CID134504364
Molecular FormulaC9H8F6
Molecular Weight230.15 g/mol
Exact Mass230.05
IUPAC Name(3E,5Z)-8,8,8-trifluoro-3-(trifluoromethyl)octa-1,3,5-triene
SMILESC=C/C(=C\C=C/CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H8F6/c1-2-7(9(13,14)15)5-3-4-6-8(10,11)12/h2-5H,1,6H2/b4-3-,7-5+
InChIKeyLOEQUWGSMWPECI-QVXLNCAUSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-8,8,8-trifluoro-3-(trifluoromethyl)octa-1,3,5-triene?
The IUPAC name of (3E,5Z)-8,8,8-trifluoro-3-(trifluoromethyl)octa-1,3,5-triene (CID 134504364) is (3E,5Z)-8,8,8-trifluoro-3-(trifluoromethyl)octa-1,3,5-triene.
What is the SMILES notation for (3E,5Z)-8,8,8-trifluoro-3-(trifluoromethyl)octa-1,3,5-triene?
The canonical SMILES for (3E,5Z)-8,8,8-trifluoro-3-(trifluoromethyl)octa-1,3,5-triene is C=C/C(=C\C=C/CC(F)(F)F)C(F)(F)F.
What is the InChIKey of (3E,5Z)-8,8,8-trifluoro-3-(trifluoromethyl)octa-1,3,5-triene?
The InChIKey is LOEQUWGSMWPECI-QVXLNCAUSA-N. The full InChI is InChI=1S/C9H8F6/c1-2-7(9(13,14)15)5-3-4-6-8(10,11)12/h2-5H,1,6H2/b4-3-,7-5+.
What are the key properties of (3E,5Z)-8,8,8-trifluoro-3-(trifluoromethyl)octa-1,3,5-triene?
(3E,5Z)-8,8,8-trifluoro-3-(trifluoromethyl)octa-1,3,5-triene has a molecular weight of 230.15 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-8,8,8-trifluoro-3-(trifluoromethyl)octa-1,3,5-triene is sourced from PubChem (CID 134504364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).