(2E,4E,6E)-3,5-bis(trifluoromethyl)octa-2,4,6-triene

C10H10F6 — CID 143161230

IUPAC(2E,4E,6E)-3,5-bis(trifluoromethyl)octa-2,4,6-triene
SMILESC/C=C/C(=C\C(=C/C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F6/c1-3-5-8(10(14,15)16)6-7(4-2)9(11,12)13/h3-6H,1-2H3/b5-3+,7-4+,8-6+
InChIKeyJGIOZEANAVQSPE-SFVMLHGBSA-N
MW244.18 g/mol
LogP4.56
Rot. Bonds2

About (2E,4E,6E)-3,5-bis(trifluoromethyl)octa-2,4,6-triene

(2E,4E,6E)-3,5-bis(trifluoromethyl)octa-2,4,6-triene (PubChem CID 143161230) has the molecular formula C10H10F6 and a molecular weight of 244.18 g/mol. Its IUPAC name is (2E,4E,6E)-3,5-bis(trifluoromethyl)octa-2,4,6-triene.

Molecular Properties

Compound Name(2E,4E,6E)-3,5-bis(trifluoromethyl)octa-2,4,6-triene
PubChem CID143161230
Molecular FormulaC10H10F6
Molecular Weight244.18 g/mol
Exact Mass244.07
IUPAC Name(2E,4E,6E)-3,5-bis(trifluoromethyl)octa-2,4,6-triene
SMILESC/C=C/C(=C\C(=C/C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F6/c1-3-5-8(10(14,15)16)6-7(4-2)9(11,12)13/h3-6H,1-2H3/b5-3+,7-4+,8-6+
InChIKeyJGIOZEANAVQSPE-SFVMLHGBSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 54.56
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 (2E,4E,6E)-3,5-bis(trifluoromethyl)octa-2,4,6-triene?
The IUPAC name of (2E,4E,6E)-3,5-bis(trifluoromethyl)octa-2,4,6-triene (CID 143161230) is (2E,4E,6E)-3,5-bis(trifluoromethyl)octa-2,4,6-triene.
What is the SMILES notation for (2E,4E,6E)-3,5-bis(trifluoromethyl)octa-2,4,6-triene?
The canonical SMILES for (2E,4E,6E)-3,5-bis(trifluoromethyl)octa-2,4,6-triene is C/C=C/C(=C\C(=C/C)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (2E,4E,6E)-3,5-bis(trifluoromethyl)octa-2,4,6-triene?
The InChIKey is JGIOZEANAVQSPE-SFVMLHGBSA-N. The full InChI is InChI=1S/C10H10F6/c1-3-5-8(10(14,15)16)6-7(4-2)9(11,12)13/h3-6H,1-2H3/b5-3+,7-4+,8-6+.
What are the key properties of (2E,4E,6E)-3,5-bis(trifluoromethyl)octa-2,4,6-triene?
(2E,4E,6E)-3,5-bis(trifluoromethyl)octa-2,4,6-triene has a molecular weight of 244.18 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-3,5-bis(trifluoromethyl)octa-2,4,6-triene is sourced from PubChem (CID 143161230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).