(2E,4Z)-2-[(E)-1-fluorobut-2-en-2-yl]oxyhepta-2,4-diene

C11H17FO — CID 134345598

IUPAC(2E,4Z)-2-[(E)-1-fluorobut-2-en-2-yl]oxyhepta-2,4-diene
SMILESC/C=C(\CF)O/C(C)=C/C=C\CC
InChIInChI=1S/C11H17FO/c1-4-6-7-8-10(3)13-11(5-2)9-12/h5-8H,4,9H2,1-3H3/b7-6-,10-8+,11-5+
InChIKeyQLNYLMBWIHIBCX-XGHAZLPQSA-N
MW184.25 g/mol
LogP3.75
Rot. Bonds5

About (2E,4Z)-2-[(E)-1-fluorobut-2-en-2-yl]oxyhepta-2,4-diene

(2E,4Z)-2-[(E)-1-fluorobut-2-en-2-yl]oxyhepta-2,4-diene (PubChem CID 134345598) has the molecular formula C11H17FO and a molecular weight of 184.25 g/mol. Its IUPAC name is (2E,4Z)-2-[(E)-1-fluorobut-2-en-2-yl]oxyhepta-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-2-[(E)-1-fluorobut-2-en-2-yl]oxyhepta-2,4-diene
PubChem CID134345598
Molecular FormulaC11H17FO
Molecular Weight184.25 g/mol
Exact Mass184.13
IUPAC Name(2E,4Z)-2-[(E)-1-fluorobut-2-en-2-yl]oxyhepta-2,4-diene
SMILESC/C=C(\CF)O/C(C)=C/C=C\CC
InChIInChI=1S/C11H17FO/c1-4-6-7-8-10(3)13-11(5-2)9-12/h5-8H,4,9H2,1-3H3/b7-6-,10-8+,11-5+
InChIKeyQLNYLMBWIHIBCX-XGHAZLPQSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 53.75
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 (2E,4Z)-2-[(E)-1-fluorobut-2-en-2-yl]oxyhepta-2,4-diene?
The IUPAC name of (2E,4Z)-2-[(E)-1-fluorobut-2-en-2-yl]oxyhepta-2,4-diene (CID 134345598) is (2E,4Z)-2-[(E)-1-fluorobut-2-en-2-yl]oxyhepta-2,4-diene.
What is the SMILES notation for (2E,4Z)-2-[(E)-1-fluorobut-2-en-2-yl]oxyhepta-2,4-diene?
The canonical SMILES for (2E,4Z)-2-[(E)-1-fluorobut-2-en-2-yl]oxyhepta-2,4-diene is C/C=C(\CF)O/C(C)=C/C=C\CC.
What is the InChIKey of (2E,4Z)-2-[(E)-1-fluorobut-2-en-2-yl]oxyhepta-2,4-diene?
The InChIKey is QLNYLMBWIHIBCX-XGHAZLPQSA-N. The full InChI is InChI=1S/C11H17FO/c1-4-6-7-8-10(3)13-11(5-2)9-12/h5-8H,4,9H2,1-3H3/b7-6-,10-8+,11-5+.
What are the key properties of (2E,4Z)-2-[(E)-1-fluorobut-2-en-2-yl]oxyhepta-2,4-diene?
(2E,4Z)-2-[(E)-1-fluorobut-2-en-2-yl]oxyhepta-2,4-diene has a molecular weight of 184.25 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-[(E)-1-fluorobut-2-en-2-yl]oxyhepta-2,4-diene is sourced from PubChem (CID 134345598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).