(3E)-2-fluoro-4-methoxy-6-methyl-5-methylidenehepta-1,3-diene

C10H15FO — CID 156795248

IUPAC(3E)-2-fluoro-4-methoxy-6-methyl-5-methylidenehepta-1,3-diene
SMILESC=C(F)/C=C(/OC)C(=C)C(C)C
InChIInChI=1S/C10H15FO/c1-7(2)9(4)10(12-5)6-8(3)11/h6-7H,3-4H2,1-2,5H3/b10-6+
InChIKeyLSEHIFWQETUUJK-UXBLZVDNSA-N
MW170.23 g/mol
LogP3.21
Rot. Bonds4

About (3E)-2-fluoro-4-methoxy-6-methyl-5-methylidenehepta-1,3-diene

(3E)-2-fluoro-4-methoxy-6-methyl-5-methylidenehepta-1,3-diene (PubChem CID 156795248) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is (3E)-2-fluoro-4-methoxy-6-methyl-5-methylidenehepta-1,3-diene.

Molecular Properties

Compound Name(3E)-2-fluoro-4-methoxy-6-methyl-5-methylidenehepta-1,3-diene
PubChem CID156795248
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name(3E)-2-fluoro-4-methoxy-6-methyl-5-methylidenehepta-1,3-diene
SMILESC=C(F)/C=C(/OC)C(=C)C(C)C
InChIInChI=1S/C10H15FO/c1-7(2)9(4)10(12-5)6-8(3)11/h6-7H,3-4H2,1-2,5H3/b10-6+
InChIKeyLSEHIFWQETUUJK-UXBLZVDNSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 53.21
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 (3E)-2-fluoro-4-methoxy-6-methyl-5-methylidenehepta-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

(5R)-2-fluoro-1-methoxy-5-methylcyclohexa-1,3-diene
CID 66580607
1-Fluoro-2-methoxy-6-methylcyclohexa-1,3-diene
CID 67557170
1-Fluoro-3-methoxy-5-methylcyclohexa-1,3-diene
CID 67557926
(5S)-2-fluoro-3-methoxy-5-methylcyclohexa-1,3-diene
CID 67991602
1,3-Difluoro-2-methoxy-5-methylcyclohexa-1,3-diene
CID 68261099
3-Fluoro-2-methoxy-5-methylcyclohexa-1,3-diene
CID 68261100
3-Ethyl-2-fluoro-1-methoxy-5,6-dimethylcyclohexa-1,3-diene
CID 68381402
(6R)-1-fluoro-3-methoxy-6-methylcyclohexa-1,3-diene
CID 70219237
3-Fluoro-1-methoxy-6-methylcyclohexa-1,3-diene
CID 70225784
4-Fluoro-1-methoxy-2,6-dimethylcyclohexa-1,3-diene
CID 70331713
1-Fluoro-3-methoxy-6-methylcyclohexa-1,3-diene
CID 77796632
(2E,4Z)-3-[(2R)-2-fluoro-2-methylbutoxy]-6,7-dimethylocta-2,4-diene
CID 88998018

Frequently Asked Questions

What is the IUPAC name of (3E)-2-fluoro-4-methoxy-6-methyl-5-methylidenehepta-1,3-diene?
The IUPAC name of (3E)-2-fluoro-4-methoxy-6-methyl-5-methylidenehepta-1,3-diene (CID 156795248) is (3E)-2-fluoro-4-methoxy-6-methyl-5-methylidenehepta-1,3-diene.
What is the SMILES notation for (3E)-2-fluoro-4-methoxy-6-methyl-5-methylidenehepta-1,3-diene?
The canonical SMILES for (3E)-2-fluoro-4-methoxy-6-methyl-5-methylidenehepta-1,3-diene is C=C(F)/C=C(/OC)C(=C)C(C)C.
What is the InChIKey of (3E)-2-fluoro-4-methoxy-6-methyl-5-methylidenehepta-1,3-diene?
The InChIKey is LSEHIFWQETUUJK-UXBLZVDNSA-N. The full InChI is InChI=1S/C10H15FO/c1-7(2)9(4)10(12-5)6-8(3)11/h6-7H,3-4H2,1-2,5H3/b10-6+.
What are the key properties of (3E)-2-fluoro-4-methoxy-6-methyl-5-methylidenehepta-1,3-diene?
(3E)-2-fluoro-4-methoxy-6-methyl-5-methylidenehepta-1,3-diene has a molecular weight of 170.23 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-fluoro-4-methoxy-6-methyl-5-methylidenehepta-1,3-diene is sourced from PubChem (CID 156795248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).