(1E,3E)-4-fluoro-1-methoxyhexa-1,3-diene

C7H11FO — CID 118612470

IUPAC(1E,3E)-4-fluoro-1-methoxyhexa-1,3-diene
SMILESCC/C(F)=C\C=C\OC
InChIInChI=1S/C7H11FO/c1-3-7(8)5-4-6-9-2/h4-6H,3H2,1-2H3/b6-4+,7-5+
InChIKeyQIXLONITKZGRHZ-YDFGWWAZSA-N
MW130.16 g/mol
LogP2.41
Rot. Bonds3

About (1E,3E)-4-fluoro-1-methoxyhexa-1,3-diene

(1E,3E)-4-fluoro-1-methoxyhexa-1,3-diene (PubChem CID 118612470) has the molecular formula C7H11FO and a molecular weight of 130.16 g/mol. Its IUPAC name is (1E,3E)-4-fluoro-1-methoxyhexa-1,3-diene.

Molecular Properties

Compound Name(1E,3E)-4-fluoro-1-methoxyhexa-1,3-diene
PubChem CID118612470
Molecular FormulaC7H11FO
Molecular Weight130.16 g/mol
Exact Mass130.08
IUPAC Name(1E,3E)-4-fluoro-1-methoxyhexa-1,3-diene
SMILESCC/C(F)=C\C=C\OC
InChIInChI=1S/C7H11FO/c1-3-7(8)5-4-6-9-2/h4-6H,3H2,1-2H3/b6-4+,7-5+
InChIKeyQIXLONITKZGRHZ-YDFGWWAZSA-N
XLogP2.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.16
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1E,3E)-4-fluoro-1-methoxyhexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(Methoxymethylidene)cyclopenta-1,3-diene
CID 13428392
Dihydrooxepin
CID 15565412
(1Z,3Z,5Z,7Z,9Z)-1-propoxydodeca-1,3,5,7,9-pentaene
CID 6440369
Ethoxy hexadiene
CID 91476540
2-Fluoro-1-methoxycyclohexa-1,3-diene
CID 22611731
(all-E)-1-Methoxy-1,3,5,7,9-dodecapentaene
CID 92033185
(1E,3Z)-5-fluoro-1-methoxyhexa-1,3-diene
CID 118612602
4-Fluoro-2,4-dimethylpyran
CID 123277017
2-(1-Fluoroethoxy)pent-2-ene
CID 123430927
(1Z,3E)-4-fluoro-1-methoxyhexa-1,3-diene
CID 134312978
(3E)-4-(trifluoromethoxy)hexa-1,3-diene
CID 134559918
2-Fluoro-1-methoxycyclohepta-1,3,5-triene
CID 142849024

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-4-fluoro-1-methoxyhexa-1,3-diene?
The IUPAC name of (1E,3E)-4-fluoro-1-methoxyhexa-1,3-diene (CID 118612470) is (1E,3E)-4-fluoro-1-methoxyhexa-1,3-diene.
What is the SMILES notation for (1E,3E)-4-fluoro-1-methoxyhexa-1,3-diene?
The canonical SMILES for (1E,3E)-4-fluoro-1-methoxyhexa-1,3-diene is CC/C(F)=C\C=C\OC.
What is the InChIKey of (1E,3E)-4-fluoro-1-methoxyhexa-1,3-diene?
The InChIKey is QIXLONITKZGRHZ-YDFGWWAZSA-N. The full InChI is InChI=1S/C7H11FO/c1-3-7(8)5-4-6-9-2/h4-6H,3H2,1-2H3/b6-4+,7-5+.
What are the key properties of (1E,3E)-4-fluoro-1-methoxyhexa-1,3-diene?
(1E,3E)-4-fluoro-1-methoxyhexa-1,3-diene has a molecular weight of 130.16 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-4-fluoro-1-methoxyhexa-1,3-diene is sourced from PubChem (CID 118612470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).