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

C9H11F3 — CID 146353509

IUPAC(4E,6Z)-4-(trifluoromethyl)octa-2,4,6-triene
SMILESCC=C/C(=C\C=C/C)C(F)(F)F
InChIInChI=1S/C9H11F3/c1-3-5-7-8(6-4-2)9(10,11)12/h3-7H,1-2H3/b5-3-,6-4?,8-7+
InChIKeyOTKXHUOKVRIDPL-USRRVQSPSA-N
MW176.18 g/mol
LogP3.63
Rot. Bonds2

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

(4E,6Z)-4-(trifluoromethyl)octa-2,4,6-triene (PubChem CID 146353509) has the molecular formula C9H11F3 and a molecular weight of 176.18 g/mol. Its IUPAC name is (4E,6Z)-4-(trifluoromethyl)octa-2,4,6-triene.

Molecular Properties

Compound Name(4E,6Z)-4-(trifluoromethyl)octa-2,4,6-triene
PubChem CID146353509
Molecular FormulaC9H11F3
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Name(4E,6Z)-4-(trifluoromethyl)octa-2,4,6-triene
SMILESCC=C/C(=C\C=C/C)C(F)(F)F
InChIInChI=1S/C9H11F3/c1-3-5-7-8(6-4-2)9(10,11)12/h3-7H,1-2H3/b5-3-,6-4?,8-7+
InChIKeyOTKXHUOKVRIDPL-USRRVQSPSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 53.63
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

(1Z,3E,5E)-1-iodo-3-(trifluoromethyl)hepta-1,3,5-triene
CID 126629591
(2Z,4E,7E,9Z)-5,7-bis[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)undeca-2,4,7,9-tetraene
CID 135298694
ethane;(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene
CID 144657278
(2E,4E,6E)-3,5-bis(trifluoromethyl)octa-2,4,6-triene
CID 143161230
(4E,6Z)-3,5-bis(trifluoromethyl)octa-2,4,6-triene
CID 173482598
ethane;(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5,5-bis(trifluoromethyl)deca-1,3,6,8-tetraene
CID 145162819
ethane;(2Z,4E,7E)-5-ethenyl-7-[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)deca-2,4,7-triene
CID 143322922
(2Z,4Z)-1,1,1-trifluoro-N-methylhexa-2,4-dien-2-amine
CID 145332953
(5E,7Z)-4,4-dimethyl-5-[(Z)-prop-1-enyl]nona-5,7-diene-2-thiol
CID 134354782
(2Z,4E,6E)-4-(1,1,2-trifluoroethyl)nona-2,4,6-triene
CID 129041542
ethane;(4E,6Z)-4-ethenyl-3,3-difluoro-2-methylocta-4,6-dien-2-ol
CID 164918182
(3E,5Z)-4-[fluoro(diiodo)methyl]hepta-1,3,5-triene
CID 167239057

Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-4-(trifluoromethyl)octa-2,4,6-triene?
The IUPAC name of (4E,6Z)-4-(trifluoromethyl)octa-2,4,6-triene (CID 146353509) is (4E,6Z)-4-(trifluoromethyl)octa-2,4,6-triene.
What is the SMILES notation for (4E,6Z)-4-(trifluoromethyl)octa-2,4,6-triene?
The canonical SMILES for (4E,6Z)-4-(trifluoromethyl)octa-2,4,6-triene is CC=C/C(=C\C=C/C)C(F)(F)F.
What is the InChIKey of (4E,6Z)-4-(trifluoromethyl)octa-2,4,6-triene?
The InChIKey is OTKXHUOKVRIDPL-USRRVQSPSA-N. The full InChI is InChI=1S/C9H11F3/c1-3-5-7-8(6-4-2)9(10,11)12/h3-7H,1-2H3/b5-3-,6-4?,8-7+.
What are the key properties of (4E,6Z)-4-(trifluoromethyl)octa-2,4,6-triene?
(4E,6Z)-4-(trifluoromethyl)octa-2,4,6-triene has a molecular weight of 176.18 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-4-(trifluoromethyl)octa-2,4,6-triene is sourced from PubChem (CID 146353509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).