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

C10H10F6 — CID 173482598

IUPAC(4E,6Z)-3,5-bis(trifluoromethyl)octa-2,4,6-triene
SMILESCC=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-CSGIIWIUSA-N
MW244.18 g/mol
LogP4.56
Rot. Bonds2

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

(4E,6Z)-3,5-bis(trifluoromethyl)octa-2,4,6-triene (PubChem CID 173482598) has the molecular formula C10H10F6 and a molecular weight of 244.18 g/mol. Its IUPAC name is (4E,6Z)-3,5-bis(trifluoromethyl)octa-2,4,6-triene.

Molecular Properties

Compound Name(4E,6Z)-3,5-bis(trifluoromethyl)octa-2,4,6-triene
PubChem CID173482598
Molecular FormulaC10H10F6
Molecular Weight244.18 g/mol
Exact Mass244.07
IUPAC Name(4E,6Z)-3,5-bis(trifluoromethyl)octa-2,4,6-triene
SMILESCC=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-CSGIIWIUSA-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'}

Analyze (4E,6Z)-3,5-bis(trifluoromethyl)octa-2,4,6-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,4E,6E)-3,5-bis(trifluoromethyl)octa-2,4,6-triene
CID 143161230
ethane;(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene
CID 144657278
(4E,6Z)-4-(trifluoromethyl)octa-2,4,6-triene
CID 146353509
(2Z,4E)-1,1,1-trifluoro-4-(trifluoromethyl)hexa-2,4-dien-2-ol
CID 134221847
(2Z,4E,7E,9Z)-5,7-bis[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)undeca-2,4,7,9-tetraene
CID 135298694
(3E)-2-methyl-5-(trifluoromethyl)hepta-1,3,5-trien-3-ol
CID 143740716
(3Z,5E)-5-(trifluoromethyl)hepta-1,3,5-triene-2-thiol
CID 88863446
N-[2-amino-3-ethenylidene-5-(trifluoromethyl)octa-4,6-dienyl]formamide
CID 90860011
3-(trifluoromethyl)octa-2,4-diene
CID 123687323
(3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)hepta-3,5-dienamide
CID 162732262
(2E,4E)-4-(1,1-difluoroethyl)-7,7,7-trifluorohepta-2,4-diene
CID 163785608
(3E,5Z)-4-[fluoro(diiodo)methyl]hepta-1,3,5-triene
CID 167239057

Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-3,5-bis(trifluoromethyl)octa-2,4,6-triene?
The IUPAC name of (4E,6Z)-3,5-bis(trifluoromethyl)octa-2,4,6-triene (CID 173482598) is (4E,6Z)-3,5-bis(trifluoromethyl)octa-2,4,6-triene.
What is the SMILES notation for (4E,6Z)-3,5-bis(trifluoromethyl)octa-2,4,6-triene?
The canonical SMILES for (4E,6Z)-3,5-bis(trifluoromethyl)octa-2,4,6-triene is CC=C(/C=C(\C=C/C)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (4E,6Z)-3,5-bis(trifluoromethyl)octa-2,4,6-triene?
The InChIKey is JGIOZEANAVQSPE-CSGIIWIUSA-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 (4E,6Z)-3,5-bis(trifluoromethyl)octa-2,4,6-triene?
(4E,6Z)-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 (4E,6Z)-3,5-bis(trifluoromethyl)octa-2,4,6-triene is sourced from PubChem (CID 173482598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).