1-(2-ethenoxyethoxy)-4-fluorobutane

C8H15FO2 — CID 87185619

IUPAC1-(2-ethenoxyethoxy)-4-fluorobutane
SMILESC=COCCOCCCCF
InChIInChI=1S/C8H15FO2/c1-2-10-7-8-11-6-4-3-5-9/h2H,1,3-8H2
InChIKeyRSZHAZVOPWHYTK-UHFFFAOYSA-N
MW162.20 g/mol
LogP1.91
Rot. Bonds8

About 1-(2-ethenoxyethoxy)-4-fluorobutane

1-(2-ethenoxyethoxy)-4-fluorobutane (PubChem CID 87185619) has the molecular formula C8H15FO2 and a molecular weight of 162.20 g/mol. Its IUPAC name is 1-(2-ethenoxyethoxy)-4-fluorobutane.

Molecular Properties

Compound Name1-(2-ethenoxyethoxy)-4-fluorobutane
PubChem CID87185619
Molecular FormulaC8H15FO2
Molecular Weight162.20 g/mol
Exact Mass162.11
IUPAC Name1-(2-ethenoxyethoxy)-4-fluorobutane
SMILESC=COCCOCCCCF
InChIInChI=1S/C8H15FO2/c1-2-10-7-8-11-6-4-3-5-9/h2H,1,3-8H2
InChIKeyRSZHAZVOPWHYTK-UHFFFAOYSA-N
XLogP1.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.91
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenoxyethoxy)-4-fluorobutane?
The IUPAC name of 1-(2-ethenoxyethoxy)-4-fluorobutane (CID 87185619) is 1-(2-ethenoxyethoxy)-4-fluorobutane.
What is the SMILES notation for 1-(2-ethenoxyethoxy)-4-fluorobutane?
The canonical SMILES for 1-(2-ethenoxyethoxy)-4-fluorobutane is C=COCCOCCCCF.
What is the InChIKey of 1-(2-ethenoxyethoxy)-4-fluorobutane?
The InChIKey is RSZHAZVOPWHYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO2/c1-2-10-7-8-11-6-4-3-5-9/h2H,1,3-8H2.
What are the key properties of 1-(2-ethenoxyethoxy)-4-fluorobutane?
1-(2-ethenoxyethoxy)-4-fluorobutane has a molecular weight of 162.20 g/mol, XLogP of 1.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenoxyethoxy)-4-fluorobutane is sourced from PubChem (CID 87185619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).