(1Z,3E,5E)-1-iodo-3-(trifluoromethyl)hepta-1,3,5-triene

C8H8F3I — CID 126629591

IUPAC(1Z,3E,5E)-1-iodo-3-(trifluoromethyl)hepta-1,3,5-triene
SMILESC/C=C/C=C(\C=C/I)C(F)(F)F
InChIInChI=1S/C8H8F3I/c1-2-3-4-7(5-6-12)8(9,10)11/h2-6H,1H3/b3-2+,6-5-,7-4+
InChIKeyWSRWPBQGPSXRDA-WGIXWNTESA-N
MW288.05 g/mol
LogP4.00
Rot. Bonds2

About (1Z,3E,5E)-1-iodo-3-(trifluoromethyl)hepta-1,3,5-triene

(1Z,3E,5E)-1-iodo-3-(trifluoromethyl)hepta-1,3,5-triene (PubChem CID 126629591) has the molecular formula C8H8F3I and a molecular weight of 288.05 g/mol. Its IUPAC name is (1Z,3E,5E)-1-iodo-3-(trifluoromethyl)hepta-1,3,5-triene.

Molecular Properties

Compound Name(1Z,3E,5E)-1-iodo-3-(trifluoromethyl)hepta-1,3,5-triene
PubChem CID126629591
Molecular FormulaC8H8F3I
Molecular Weight288.05 g/mol
Exact Mass287.96
IUPAC Name(1Z,3E,5E)-1-iodo-3-(trifluoromethyl)hepta-1,3,5-triene
SMILESC/C=C/C=C(\C=C/I)C(F)(F)F
InChIInChI=1S/C8H8F3I/c1-2-3-4-7(5-6-12)8(9,10)11/h2-6H,1H3/b3-2+,6-5-,7-4+
InChIKeyWSRWPBQGPSXRDA-WGIXWNTESA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.05
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1Z,3E,5E)-1-iodo-3-(trifluoromethyl)hepta-1,3,5-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 (1Z,3E,5E)-1-iodo-3-(trifluoromethyl)hepta-1,3,5-triene?
The IUPAC name of (1Z,3E,5E)-1-iodo-3-(trifluoromethyl)hepta-1,3,5-triene (CID 126629591) is (1Z,3E,5E)-1-iodo-3-(trifluoromethyl)hepta-1,3,5-triene.
What is the SMILES notation for (1Z,3E,5E)-1-iodo-3-(trifluoromethyl)hepta-1,3,5-triene?
The canonical SMILES for (1Z,3E,5E)-1-iodo-3-(trifluoromethyl)hepta-1,3,5-triene is C/C=C/C=C(\C=C/I)C(F)(F)F.
What is the InChIKey of (1Z,3E,5E)-1-iodo-3-(trifluoromethyl)hepta-1,3,5-triene?
The InChIKey is WSRWPBQGPSXRDA-WGIXWNTESA-N. The full InChI is InChI=1S/C8H8F3I/c1-2-3-4-7(5-6-12)8(9,10)11/h2-6H,1H3/b3-2+,6-5-,7-4+.
What are the key properties of (1Z,3E,5E)-1-iodo-3-(trifluoromethyl)hepta-1,3,5-triene?
(1Z,3E,5E)-1-iodo-3-(trifluoromethyl)hepta-1,3,5-triene has a molecular weight of 288.05 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5E)-1-iodo-3-(trifluoromethyl)hepta-1,3,5-triene is sourced from PubChem (CID 126629591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).