2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanone

C12H13FO2 — CID 70498765

IUPAC2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanone
SMILESC=CC(C)OCC(=O)c1ccccc1F
InChIInChI=1S/C12H13FO2/c1-3-9(2)15-8-12(14)10-6-4-5-7-11(10)13/h3-7,9H,1,8H2,2H3
InChIKeyMUVYPGHGENGYEB-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.60
Rot. Bonds5

About 2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanone

2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanone (PubChem CID 70498765) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanone
PubChem CID70498765
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanone
SMILESC=CC(C)OCC(=O)c1ccccc1F
InChIInChI=1S/C12H13FO2/c1-3-9(2)15-8-12(14)10-6-4-5-7-11(10)13/h3-7,9H,1,8H2,2H3
InChIKeyMUVYPGHGENGYEB-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanone?
The IUPAC name of 2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanone (CID 70498765) is 2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanone.
What is the SMILES notation for 2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanone?
The canonical SMILES for 2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanone is C=CC(C)OCC(=O)c1ccccc1F.
What is the InChIKey of 2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanone?
The InChIKey is MUVYPGHGENGYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-3-9(2)15-8-12(14)10-6-4-5-7-11(10)13/h3-7,9H,1,8H2,2H3.
What are the key properties of 2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanone?
2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanone has a molecular weight of 208.23 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-yloxy-1-(2-fluorophenyl)ethanone is sourced from PubChem (CID 70498765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).