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

C11H17FO2 — CID 89318773

IUPAC(3Z,5E)-2-fluoro-5-(3-methoxypropoxy)hepta-1,3,5-triene
SMILESC=C(F)/C=C\C(=C/C)OCCCOC
InChIInChI=1S/C11H17FO2/c1-4-11(7-6-10(2)12)14-9-5-8-13-3/h4,6-7H,2,5,8-9H2,1,3H3/b7-6-,11-4+
InChIKeyNOYPCGRNBYLBCL-BJNIYONUSA-N
MW200.25 g/mol
LogP2.98
Rot. Bonds7

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

(3Z,5E)-2-fluoro-5-(3-methoxypropoxy)hepta-1,3,5-triene (PubChem CID 89318773) has the molecular formula C11H17FO2 and a molecular weight of 200.25 g/mol. Its IUPAC name is (3Z,5E)-2-fluoro-5-(3-methoxypropoxy)hepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-2-fluoro-5-(3-methoxypropoxy)hepta-1,3,5-triene
PubChem CID89318773
Molecular FormulaC11H17FO2
Molecular Weight200.25 g/mol
Exact Mass200.12
IUPAC Name(3Z,5E)-2-fluoro-5-(3-methoxypropoxy)hepta-1,3,5-triene
SMILESC=C(F)/C=C\C(=C/C)OCCCOC
InChIInChI=1S/C11H17FO2/c1-4-11(7-6-10(2)12)14-9-5-8-13-3/h4,6-7H,2,5,8-9H2,1,3H3/b7-6-,11-4+
InChIKeyNOYPCGRNBYLBCL-BJNIYONUSA-N
XLogP2.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 52.98
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)-2-fluoro-5-(3-methoxypropoxy)hepta-1,3,5-triene?
The IUPAC name of (3Z,5E)-2-fluoro-5-(3-methoxypropoxy)hepta-1,3,5-triene (CID 89318773) is (3Z,5E)-2-fluoro-5-(3-methoxypropoxy)hepta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-2-fluoro-5-(3-methoxypropoxy)hepta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-2-fluoro-5-(3-methoxypropoxy)hepta-1,3,5-triene is C=C(F)/C=C\C(=C/C)OCCCOC.
What is the InChIKey of (3Z,5E)-2-fluoro-5-(3-methoxypropoxy)hepta-1,3,5-triene?
The InChIKey is NOYPCGRNBYLBCL-BJNIYONUSA-N. The full InChI is InChI=1S/C11H17FO2/c1-4-11(7-6-10(2)12)14-9-5-8-13-3/h4,6-7H,2,5,8-9H2,1,3H3/b7-6-,11-4+.
What are the key properties of (3Z,5E)-2-fluoro-5-(3-methoxypropoxy)hepta-1,3,5-triene?
(3Z,5E)-2-fluoro-5-(3-methoxypropoxy)hepta-1,3,5-triene has a molecular weight of 200.25 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-2-fluoro-5-(3-methoxypropoxy)hepta-1,3,5-triene is sourced from PubChem (CID 89318773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).