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

C9H10ClF3 — CID 146226336

IUPAC(2Z,4E,6E)-4-chloro-3-(trifluoromethyl)octa-2,4,6-triene
SMILESC/C=C(C(\Cl)=C/C=C/C)/C(F)(F)F
InChIInChI=1S/C9H10ClF3/c1-3-5-6-8(10)7(4-2)9(11,12)13/h3-6H,1-2H3/b5-3+,7-4+,8-6+
InChIKeyXIQJDJPBGOTZKN-SFVMLHGBSA-N
MW210.63 g/mol
LogP4.19
Rot. Bonds2

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

(2Z,4E,6E)-4-chloro-3-(trifluoromethyl)octa-2,4,6-triene (PubChem CID 146226336) has the molecular formula C9H10ClF3 and a molecular weight of 210.63 g/mol. Its IUPAC name is (2Z,4E,6E)-4-chloro-3-(trifluoromethyl)octa-2,4,6-triene.

Molecular Properties

Compound Name(2Z,4E,6E)-4-chloro-3-(trifluoromethyl)octa-2,4,6-triene
PubChem CID146226336
Molecular FormulaC9H10ClF3
Molecular Weight210.63 g/mol
Exact Mass210.04
IUPAC Name(2Z,4E,6E)-4-chloro-3-(trifluoromethyl)octa-2,4,6-triene
SMILESC/C=C(C(\Cl)=C/C=C/C)/C(F)(F)F
InChIInChI=1S/C9H10ClF3/c1-3-5-6-8(10)7(4-2)9(11,12)13/h3-6H,1-2H3/b5-3+,7-4+,8-6+
InChIKeyXIQJDJPBGOTZKN-SFVMLHGBSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.63
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2Z,4E,6E)-4-chloro-3-(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

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6E)-4-chloro-3-(trifluoromethyl)octa-2,4,6-triene?
The IUPAC name of (2Z,4E,6E)-4-chloro-3-(trifluoromethyl)octa-2,4,6-triene (CID 146226336) is (2Z,4E,6E)-4-chloro-3-(trifluoromethyl)octa-2,4,6-triene.
What is the SMILES notation for (2Z,4E,6E)-4-chloro-3-(trifluoromethyl)octa-2,4,6-triene?
The canonical SMILES for (2Z,4E,6E)-4-chloro-3-(trifluoromethyl)octa-2,4,6-triene is C/C=C(C(\Cl)=C/C=C/C)/C(F)(F)F.
What is the InChIKey of (2Z,4E,6E)-4-chloro-3-(trifluoromethyl)octa-2,4,6-triene?
The InChIKey is XIQJDJPBGOTZKN-SFVMLHGBSA-N. The full InChI is InChI=1S/C9H10ClF3/c1-3-5-6-8(10)7(4-2)9(11,12)13/h3-6H,1-2H3/b5-3+,7-4+,8-6+.
What are the key properties of (2Z,4E,6E)-4-chloro-3-(trifluoromethyl)octa-2,4,6-triene?
(2Z,4E,6E)-4-chloro-3-(trifluoromethyl)octa-2,4,6-triene has a molecular weight of 210.63 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E)-4-chloro-3-(trifluoromethyl)octa-2,4,6-triene is sourced from PubChem (CID 146226336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).