2-(5-fluorohexa-1,3,5-trien-3-yloxymethyl)furan

C11H11FO2 — CID 123534880

IUPAC2-(5-fluorohexa-1,3,5-trien-3-yloxymethyl)furan
SMILESC=CC(=CC(=C)F)OCc1ccco1
InChIInChI=1S/C11H11FO2/c1-3-10(7-9(2)12)14-8-11-5-4-6-13-11/h3-7H,1-2,8H2
InChIKeyWSMISTMDGSXWIL-UHFFFAOYSA-N
MW194.20 g/mol
LogP3.35
Rot. Bonds5

About 2-(5-fluorohexa-1,3,5-trien-3-yloxymethyl)furan

2-(5-fluorohexa-1,3,5-trien-3-yloxymethyl)furan (PubChem CID 123534880) has the molecular formula C11H11FO2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 2-(5-fluorohexa-1,3,5-trien-3-yloxymethyl)furan.

Molecular Properties

Compound Name2-(5-fluorohexa-1,3,5-trien-3-yloxymethyl)furan
PubChem CID123534880
Molecular FormulaC11H11FO2
Molecular Weight194.20 g/mol
Exact Mass194.07
IUPAC Name2-(5-fluorohexa-1,3,5-trien-3-yloxymethyl)furan
SMILESC=CC(=CC(=C)F)OCc1ccco1
InChIInChI=1S/C11H11FO2/c1-3-10(7-9(2)12)14-8-11-5-4-6-13-11/h3-7H,1-2,8H2
InChIKeyWSMISTMDGSXWIL-UHFFFAOYSA-N
XLogP3.35
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(5-fluorohexa-1,3,5-trien-3-yloxymethyl)furan?
The IUPAC name of 2-(5-fluorohexa-1,3,5-trien-3-yloxymethyl)furan (CID 123534880) is 2-(5-fluorohexa-1,3,5-trien-3-yloxymethyl)furan.
What is the SMILES notation for 2-(5-fluorohexa-1,3,5-trien-3-yloxymethyl)furan?
The canonical SMILES for 2-(5-fluorohexa-1,3,5-trien-3-yloxymethyl)furan is C=CC(=CC(=C)F)OCc1ccco1.
What is the InChIKey of 2-(5-fluorohexa-1,3,5-trien-3-yloxymethyl)furan?
The InChIKey is WSMISTMDGSXWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c1-3-10(7-9(2)12)14-8-11-5-4-6-13-11/h3-7H,1-2,8H2.
What are the key properties of 2-(5-fluorohexa-1,3,5-trien-3-yloxymethyl)furan?
2-(5-fluorohexa-1,3,5-trien-3-yloxymethyl)furan has a molecular weight of 194.20 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluorohexa-1,3,5-trien-3-yloxymethyl)furan is sourced from PubChem (CID 123534880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).