3-(2-fluoroethoxy)but-1-ene

C6H11FO — CID 147901946

IUPAC3-(2-fluoroethoxy)but-1-ene
SMILESC=CC(C)OCCF
InChIInChI=1S/C6H11FO/c1-3-6(2)8-5-4-7/h3,6H,1,4-5H2,2H3
InChIKeyIELBQCQIPLMSQU-UHFFFAOYSA-N
MW118.15 g/mol
LogP1.55
Rot. Bonds4

About 3-(2-fluoroethoxy)but-1-ene

3-(2-fluoroethoxy)but-1-ene (PubChem CID 147901946) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol. Its IUPAC name is 3-(2-fluoroethoxy)but-1-ene.

Molecular Properties

Compound Name3-(2-fluoroethoxy)but-1-ene
PubChem CID147901946
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Name3-(2-fluoroethoxy)but-1-ene
SMILESC=CC(C)OCCF
InChIInChI=1S/C6H11FO/c1-3-6(2)8-5-4-7/h3,6H,1,4-5H2,2H3
InChIKeyIELBQCQIPLMSQU-UHFFFAOYSA-N
XLogP1.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethoxy)but-1-ene?
The IUPAC name of 3-(2-fluoroethoxy)but-1-ene (CID 147901946) is 3-(2-fluoroethoxy)but-1-ene.
What is the SMILES notation for 3-(2-fluoroethoxy)but-1-ene?
The canonical SMILES for 3-(2-fluoroethoxy)but-1-ene is C=CC(C)OCCF.
What is the InChIKey of 3-(2-fluoroethoxy)but-1-ene?
The InChIKey is IELBQCQIPLMSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO/c1-3-6(2)8-5-4-7/h3,6H,1,4-5H2,2H3.
What are the key properties of 3-(2-fluoroethoxy)but-1-ene?
3-(2-fluoroethoxy)but-1-ene has a molecular weight of 118.15 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethoxy)but-1-ene is sourced from PubChem (CID 147901946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).