1-ethoxy-4-fluorobutane

C6H13FO — CID 54232066

IUPAC1-ethoxy-4-fluorobutane
SMILESCCOCCCCF
InChIInChI=1S/C6H13FO/c1-2-8-6-4-3-5-7/h2-6H2,1H3
InChIKeyWHQWIQXJSXQJAR-UHFFFAOYSA-N
MW120.17 g/mol
LogP1.77
Rot. Bonds5

About 1-ethoxy-4-fluorobutane

1-ethoxy-4-fluorobutane (PubChem CID 54232066) has the molecular formula C6H13FO and a molecular weight of 120.17 g/mol. Its IUPAC name is 1-ethoxy-4-fluorobutane.

Molecular Properties

Compound Name1-ethoxy-4-fluorobutane
PubChem CID54232066
Molecular FormulaC6H13FO
Molecular Weight120.17 g/mol
Exact Mass120.10
IUPAC Name1-ethoxy-4-fluorobutane
SMILESCCOCCCCF
InChIInChI=1S/C6H13FO/c1-2-8-6-4-3-5-7/h2-6H2,1H3
InChIKeyWHQWIQXJSXQJAR-UHFFFAOYSA-N
XLogP1.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-fluorobutane?
The IUPAC name of 1-ethoxy-4-fluorobutane (CID 54232066) is 1-ethoxy-4-fluorobutane.
What is the SMILES notation for 1-ethoxy-4-fluorobutane?
The canonical SMILES for 1-ethoxy-4-fluorobutane is CCOCCCCF.
What is the InChIKey of 1-ethoxy-4-fluorobutane?
The InChIKey is WHQWIQXJSXQJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO/c1-2-8-6-4-3-5-7/h2-6H2,1H3.
What are the key properties of 1-ethoxy-4-fluorobutane?
1-ethoxy-4-fluorobutane has a molecular weight of 120.17 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-fluorobutane is sourced from PubChem (CID 54232066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).