(3E,5Z)-4,5,6,7-tetrafluoro-3-methylhepta-1,3,5-triene

C8H8F4 — CID 122448094

IUPAC(3E,5Z)-4,5,6,7-tetrafluoro-3-methylhepta-1,3,5-triene
SMILESC=C/C(C)=C(F)\C(F)=C(\F)CF
InChIInChI=1S/C8H8F4/c1-3-5(2)7(11)8(12)6(10)4-9/h3H,1,4H2,2H3/b7-5+,8-6-
InChIKeyRZANUKUKFODFEC-YMBWGVAGSA-N
MW180.14 g/mol
LogP3.54
Rot. Bonds3

About (3E,5Z)-4,5,6,7-tetrafluoro-3-methylhepta-1,3,5-triene

(3E,5Z)-4,5,6,7-tetrafluoro-3-methylhepta-1,3,5-triene (PubChem CID 122448094) has the molecular formula C8H8F4 and a molecular weight of 180.14 g/mol. Its IUPAC name is (3E,5Z)-4,5,6,7-tetrafluoro-3-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5Z)-4,5,6,7-tetrafluoro-3-methylhepta-1,3,5-triene
PubChem CID122448094
Molecular FormulaC8H8F4
Molecular Weight180.14 g/mol
Exact Mass180.06
IUPAC Name(3E,5Z)-4,5,6,7-tetrafluoro-3-methylhepta-1,3,5-triene
SMILESC=C/C(C)=C(F)\C(F)=C(\F)CF
InChIInChI=1S/C8H8F4/c1-3-5(2)7(11)8(12)6(10)4-9/h3H,1,4H2,2H3/b7-5+,8-6-
InChIKeyRZANUKUKFODFEC-YMBWGVAGSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3E,5Z)-4,5,6,7-tetrafluoro-3-methylhepta-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 (3E,5Z)-4,5,6,7-tetrafluoro-3-methylhepta-1,3,5-triene?
The IUPAC name of (3E,5Z)-4,5,6,7-tetrafluoro-3-methylhepta-1,3,5-triene (CID 122448094) is (3E,5Z)-4,5,6,7-tetrafluoro-3-methylhepta-1,3,5-triene.
What is the SMILES notation for (3E,5Z)-4,5,6,7-tetrafluoro-3-methylhepta-1,3,5-triene?
The canonical SMILES for (3E,5Z)-4,5,6,7-tetrafluoro-3-methylhepta-1,3,5-triene is C=C/C(C)=C(F)\C(F)=C(\F)CF.
What is the InChIKey of (3E,5Z)-4,5,6,7-tetrafluoro-3-methylhepta-1,3,5-triene?
The InChIKey is RZANUKUKFODFEC-YMBWGVAGSA-N. The full InChI is InChI=1S/C8H8F4/c1-3-5(2)7(11)8(12)6(10)4-9/h3H,1,4H2,2H3/b7-5+,8-6-.
What are the key properties of (3E,5Z)-4,5,6,7-tetrafluoro-3-methylhepta-1,3,5-triene?
(3E,5Z)-4,5,6,7-tetrafluoro-3-methylhepta-1,3,5-triene has a molecular weight of 180.14 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4,5,6,7-tetrafluoro-3-methylhepta-1,3,5-triene is sourced from PubChem (CID 122448094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).