4-(2-fluoroethoxy)but-1-ene

C6H11FO — CID 159544536

IUPAC4-(2-fluoroethoxy)but-1-ene
SMILESC=CCCOCCF
InChIInChI=1S/C6H11FO/c1-2-3-5-8-6-4-7/h2H,1,3-6H2
InChIKeyBUNPENQMHWNJTG-UHFFFAOYSA-N
MW118.15 g/mol
LogP1.55
Rot. Bonds5

About 4-(2-fluoroethoxy)but-1-ene

4-(2-fluoroethoxy)but-1-ene (PubChem CID 159544536) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol. Its IUPAC name is 4-(2-fluoroethoxy)but-1-ene.

Molecular Properties

Compound Name4-(2-fluoroethoxy)but-1-ene
PubChem CID159544536
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Name4-(2-fluoroethoxy)but-1-ene
SMILESC=CCCOCCF
InChIInChI=1S/C6H11FO/c1-2-3-5-8-6-4-7/h2H,1,3-6H2
InChIKeyBUNPENQMHWNJTG-UHFFFAOYSA-N
XLogP1.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethoxy)but-1-ene?
The IUPAC name of 4-(2-fluoroethoxy)but-1-ene (CID 159544536) is 4-(2-fluoroethoxy)but-1-ene.
What is the SMILES notation for 4-(2-fluoroethoxy)but-1-ene?
The canonical SMILES for 4-(2-fluoroethoxy)but-1-ene is C=CCCOCCF.
What is the InChIKey of 4-(2-fluoroethoxy)but-1-ene?
The InChIKey is BUNPENQMHWNJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO/c1-2-3-5-8-6-4-7/h2H,1,3-6H2.
What are the key properties of 4-(2-fluoroethoxy)but-1-ene?
4-(2-fluoroethoxy)but-1-ene has a molecular weight of 118.15 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethoxy)but-1-ene is sourced from PubChem (CID 159544536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).