(3Z,5E)-7,7,7-trifluorohepta-1,3,5-triene

C7H7F3 — CID 89130330

IUPAC(3Z,5E)-7,7,7-trifluorohepta-1,3,5-triene
SMILESC=C/C=C\C=C\C(F)(F)F
InChIInChI=1S/C7H7F3/c1-2-3-4-5-6-7(8,9)10/h2-6H,1H2/b4-3-,6-5+
InChIKeyFEEJTJIOTFZULI-DNVGVPOPSA-N
MW148.13 g/mol
LogP2.85
Rot. Bonds2

About (3Z,5E)-7,7,7-trifluorohepta-1,3,5-triene

(3Z,5E)-7,7,7-trifluorohepta-1,3,5-triene (PubChem CID 89130330) has the molecular formula C7H7F3 and a molecular weight of 148.13 g/mol. Its IUPAC name is (3Z,5E)-7,7,7-trifluorohepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-7,7,7-trifluorohepta-1,3,5-triene
PubChem CID89130330
Molecular FormulaC7H7F3
Molecular Weight148.13 g/mol
Exact Mass148.05
IUPAC Name(3Z,5E)-7,7,7-trifluorohepta-1,3,5-triene
SMILESC=C/C=C\C=C\C(F)(F)F
InChIInChI=1S/C7H7F3/c1-2-3-4-5-6-7(8,9)10/h2-6H,1H2/b4-3-,6-5+
InChIKeyFEEJTJIOTFZULI-DNVGVPOPSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.13
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3Z,5E)-7,7,7-trifluorohepta-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 (3Z,5E)-7,7,7-trifluorohepta-1,3,5-triene?
The IUPAC name of (3Z,5E)-7,7,7-trifluorohepta-1,3,5-triene (CID 89130330) is (3Z,5E)-7,7,7-trifluorohepta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-7,7,7-trifluorohepta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-7,7,7-trifluorohepta-1,3,5-triene is C=C/C=C\C=C\C(F)(F)F.
What is the InChIKey of (3Z,5E)-7,7,7-trifluorohepta-1,3,5-triene?
The InChIKey is FEEJTJIOTFZULI-DNVGVPOPSA-N. The full InChI is InChI=1S/C7H7F3/c1-2-3-4-5-6-7(8,9)10/h2-6H,1H2/b4-3-,6-5+.
What are the key properties of (3Z,5E)-7,7,7-trifluorohepta-1,3,5-triene?
(3Z,5E)-7,7,7-trifluorohepta-1,3,5-triene has a molecular weight of 148.13 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-7,7,7-trifluorohepta-1,3,5-triene is sourced from PubChem (CID 89130330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).