(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'}

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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).