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

C10H13F3 — CID 88892285

IUPAC(2Z,4E,6Z)-4-methyl-5-(trifluoromethyl)octa-2,4,6-triene
SMILESC/C=C\C(C)=C(/C=C\C)C(F)(F)F
InChIInChI=1S/C10H13F3/c1-4-6-8(3)9(7-5-2)10(11,12)13/h4-7H,1-3H3/b6-4-,7-5-,9-8+
InChIKeyPJRJIFWSOBZSQG-VHIIXJFGSA-N
MW190.21 g/mol
LogP4.02
Rot. Bonds2

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

(2Z,4E,6Z)-4-methyl-5-(trifluoromethyl)octa-2,4,6-triene (PubChem CID 88892285) has the molecular formula C10H13F3 and a molecular weight of 190.21 g/mol. Its IUPAC name is (2Z,4E,6Z)-4-methyl-5-(trifluoromethyl)octa-2,4,6-triene.

Molecular Properties

Compound Name(2Z,4E,6Z)-4-methyl-5-(trifluoromethyl)octa-2,4,6-triene
PubChem CID88892285
Molecular FormulaC10H13F3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name(2Z,4E,6Z)-4-methyl-5-(trifluoromethyl)octa-2,4,6-triene
SMILESC/C=C\C(C)=C(/C=C\C)C(F)(F)F
InChIInChI=1S/C10H13F3/c1-4-6-8(3)9(7-5-2)10(11,12)13/h4-7H,1-3H3/b6-4-,7-5-,9-8+
InChIKeyPJRJIFWSOBZSQG-VHIIXJFGSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 54.02
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 (2Z,4E,6Z)-4-methyl-5-(trifluoromethyl)octa-2,4,6-triene?
The IUPAC name of (2Z,4E,6Z)-4-methyl-5-(trifluoromethyl)octa-2,4,6-triene (CID 88892285) is (2Z,4E,6Z)-4-methyl-5-(trifluoromethyl)octa-2,4,6-triene.
What is the SMILES notation for (2Z,4E,6Z)-4-methyl-5-(trifluoromethyl)octa-2,4,6-triene?
The canonical SMILES for (2Z,4E,6Z)-4-methyl-5-(trifluoromethyl)octa-2,4,6-triene is C/C=C\C(C)=C(/C=C\C)C(F)(F)F.
What is the InChIKey of (2Z,4E,6Z)-4-methyl-5-(trifluoromethyl)octa-2,4,6-triene?
The InChIKey is PJRJIFWSOBZSQG-VHIIXJFGSA-N. The full InChI is InChI=1S/C10H13F3/c1-4-6-8(3)9(7-5-2)10(11,12)13/h4-7H,1-3H3/b6-4-,7-5-,9-8+.
What are the key properties of (2Z,4E,6Z)-4-methyl-5-(trifluoromethyl)octa-2,4,6-triene?
(2Z,4E,6Z)-4-methyl-5-(trifluoromethyl)octa-2,4,6-triene has a molecular weight of 190.21 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6Z)-4-methyl-5-(trifluoromethyl)octa-2,4,6-triene is sourced from PubChem (CID 88892285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).