(2E)-2-fluoro-6-methylhepta-2,5-diene

C8H13F — CID 143576133

IUPAC(2E)-2-fluoro-6-methylhepta-2,5-diene
SMILESCC(C)=CC/C=C(\C)F
InChIInChI=1S/C8H13F/c1-7(2)5-4-6-8(3)9/h5-6H,4H2,1-3H3/b8-6+
InChIKeyWDEXTPJIKRXPOP-SOFGYWHQSA-N
MW128.19 g/mol
LogP3.22
Rot. Bonds2

About (2E)-2-fluoro-6-methylhepta-2,5-diene

(2E)-2-fluoro-6-methylhepta-2,5-diene (PubChem CID 143576133) has the molecular formula C8H13F and a molecular weight of 128.19 g/mol. Its IUPAC name is (2E)-2-fluoro-6-methylhepta-2,5-diene.

Molecular Properties

Compound Name(2E)-2-fluoro-6-methylhepta-2,5-diene
PubChem CID143576133
Molecular FormulaC8H13F
Molecular Weight128.19 g/mol
Exact Mass128.10
IUPAC Name(2E)-2-fluoro-6-methylhepta-2,5-diene
SMILESCC(C)=CC/C=C(\C)F
InChIInChI=1S/C8H13F/c1-7(2)5-4-6-8(3)9/h5-6H,4H2,1-3H3/b8-6+
InChIKeyWDEXTPJIKRXPOP-SOFGYWHQSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.19
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2E)-2-fluoro-6-methylhepta-2,5-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)-2-fluoro-6-methylhepta-2,5-diene?
The IUPAC name of (2E)-2-fluoro-6-methylhepta-2,5-diene (CID 143576133) is (2E)-2-fluoro-6-methylhepta-2,5-diene.
What is the SMILES notation for (2E)-2-fluoro-6-methylhepta-2,5-diene?
The canonical SMILES for (2E)-2-fluoro-6-methylhepta-2,5-diene is CC(C)=CC/C=C(\C)F.
What is the InChIKey of (2E)-2-fluoro-6-methylhepta-2,5-diene?
The InChIKey is WDEXTPJIKRXPOP-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H13F/c1-7(2)5-4-6-8(3)9/h5-6H,4H2,1-3H3/b8-6+.
What are the key properties of (2E)-2-fluoro-6-methylhepta-2,5-diene?
(2E)-2-fluoro-6-methylhepta-2,5-diene has a molecular weight of 128.19 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-fluoro-6-methylhepta-2,5-diene is sourced from PubChem (CID 143576133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).