(3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene

C10H15FO2 — CID 169134592

IUPAC(3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene
SMILESC=C/C=C(/C=C(\C)F)OCCOC
InChIInChI=1S/C10H15FO2/c1-4-5-10(8-9(2)11)13-7-6-12-3/h4-5,8H,1,6-7H2,2-3H3/b9-8+,10-5-
InChIKeyFJAUYXKLFWDBDS-KCSCZYNBSA-N
MW186.23 g/mol
LogP2.59
Rot. Bonds6

About (3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene

(3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene (PubChem CID 169134592) has the molecular formula C10H15FO2 and a molecular weight of 186.23 g/mol. Its IUPAC name is (3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene
PubChem CID169134592
Molecular FormulaC10H15FO2
Molecular Weight186.23 g/mol
Exact Mass186.11
IUPAC Name(3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene
SMILESC=C/C=C(/C=C(\C)F)OCCOC
InChIInChI=1S/C10H15FO2/c1-4-5-10(8-9(2)11)13-7-6-12-3/h4-5,8H,1,6-7H2,2-3H3/b9-8+,10-5-
InChIKeyFJAUYXKLFWDBDS-KCSCZYNBSA-N
XLogP2.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene?
The IUPAC name of (3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene (CID 169134592) is (3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene is C=C/C=C(/C=C(\C)F)OCCOC.
What is the InChIKey of (3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene?
The InChIKey is FJAUYXKLFWDBDS-KCSCZYNBSA-N. The full InChI is InChI=1S/C10H15FO2/c1-4-5-10(8-9(2)11)13-7-6-12-3/h4-5,8H,1,6-7H2,2-3H3/b9-8+,10-5-.
What are the key properties of (3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene?
(3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene has a molecular weight of 186.23 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene is sourced from PubChem (CID 169134592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).