(2E,4Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhepta-2,4-diene

C10H12F6 — CID 143161376

IUPAC(2E,4Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhepta-2,4-diene
SMILESCC(=C/C(C)C(F)(F)F)/C=C(\C)C(F)(F)F
InChIInChI=1S/C10H12F6/c1-6(4-7(2)9(11,12)13)5-8(3)10(14,15)16/h4-5,7H,1-3H3/b6-4-,8-5+
InChIKeyNIGYYZPUQHDFBF-QXMOYCCXSA-N
MW246.19 g/mol
LogP4.64
Rot. Bonds2

About (2E,4Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhepta-2,4-diene

(2E,4Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhepta-2,4-diene (PubChem CID 143161376) has the molecular formula C10H12F6 and a molecular weight of 246.19 g/mol. Its IUPAC name is (2E,4Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhepta-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhepta-2,4-diene
PubChem CID143161376
Molecular FormulaC10H12F6
Molecular Weight246.19 g/mol
Exact Mass246.08
IUPAC Name(2E,4Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhepta-2,4-diene
SMILESCC(=C/C(C)C(F)(F)F)/C=C(\C)C(F)(F)F
InChIInChI=1S/C10H12F6/c1-6(4-7(2)9(11,12)13)5-8(3)10(14,15)16/h4-5,7H,1-3H3/b6-4-,8-5+
InChIKeyNIGYYZPUQHDFBF-QXMOYCCXSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2E,4Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhepta-2,4-diene 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 (2E,4Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhepta-2,4-diene?
The IUPAC name of (2E,4Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhepta-2,4-diene (CID 143161376) is (2E,4Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhepta-2,4-diene.
What is the SMILES notation for (2E,4Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhepta-2,4-diene?
The canonical SMILES for (2E,4Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhepta-2,4-diene is CC(=C/C(C)C(F)(F)F)/C=C(\C)C(F)(F)F.
What is the InChIKey of (2E,4Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhepta-2,4-diene?
The InChIKey is NIGYYZPUQHDFBF-QXMOYCCXSA-N. The full InChI is InChI=1S/C10H12F6/c1-6(4-7(2)9(11,12)13)5-8(3)10(14,15)16/h4-5,7H,1-3H3/b6-4-,8-5+.
What are the key properties of (2E,4Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhepta-2,4-diene?
(2E,4Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhepta-2,4-diene has a molecular weight of 246.19 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhepta-2,4-diene is sourced from PubChem (CID 143161376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).