(3Z,5E)-2-fluoro-5-propoxyhepta-1,3,5-triene

C10H15FO — CID 143108215

IUPAC(3Z,5E)-2-fluoro-5-propoxyhepta-1,3,5-triene
SMILESC=C(F)/C=C\C(=C/C)OCCC
InChIInChI=1S/C10H15FO/c1-4-8-12-10(5-2)7-6-9(3)11/h5-7H,3-4,8H2,1-2H3/b7-6-,10-5+
InChIKeyUJNQCNSMEVVTHE-JQEGGOPCSA-N
MW170.23 g/mol
LogP3.36
Rot. Bonds5

About (3Z,5E)-2-fluoro-5-propoxyhepta-1,3,5-triene

(3Z,5E)-2-fluoro-5-propoxyhepta-1,3,5-triene (PubChem CID 143108215) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is (3Z,5E)-2-fluoro-5-propoxyhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-2-fluoro-5-propoxyhepta-1,3,5-triene
PubChem CID143108215
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name(3Z,5E)-2-fluoro-5-propoxyhepta-1,3,5-triene
SMILESC=C(F)/C=C\C(=C/C)OCCC
InChIInChI=1S/C10H15FO/c1-4-8-12-10(5-2)7-6-9(3)11/h5-7H,3-4,8H2,1-2H3/b7-6-,10-5+
InChIKeyUJNQCNSMEVVTHE-JQEGGOPCSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 53.36
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 (3Z,5E)-2-fluoro-5-propoxyhepta-1,3,5-triene?
The IUPAC name of (3Z,5E)-2-fluoro-5-propoxyhepta-1,3,5-triene (CID 143108215) is (3Z,5E)-2-fluoro-5-propoxyhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-2-fluoro-5-propoxyhepta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-2-fluoro-5-propoxyhepta-1,3,5-triene is C=C(F)/C=C\C(=C/C)OCCC.
What is the InChIKey of (3Z,5E)-2-fluoro-5-propoxyhepta-1,3,5-triene?
The InChIKey is UJNQCNSMEVVTHE-JQEGGOPCSA-N. The full InChI is InChI=1S/C10H15FO/c1-4-8-12-10(5-2)7-6-9(3)11/h5-7H,3-4,8H2,1-2H3/b7-6-,10-5+.
What are the key properties of (3Z,5E)-2-fluoro-5-propoxyhepta-1,3,5-triene?
(3Z,5E)-2-fluoro-5-propoxyhepta-1,3,5-triene has a molecular weight of 170.23 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-2-fluoro-5-propoxyhepta-1,3,5-triene is sourced from PubChem (CID 143108215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).