3-(1-fluoroprop-1-enyl)oxetane-2,4-dione

C6H5FO3 — CID 174971489

IUPAC3-(1-fluoroprop-1-enyl)oxetane-2,4-dione
SMILESCC=C(F)C1C(=O)OC1=O
InChIInChI=1S/C6H5FO3/c1-2-3(7)4-5(8)10-6(4)9/h2,4H,1H3
InChIKeyULSRSVWDZCGJTH-UHFFFAOYSA-N
MW144.10 g/mol
LogP0.56
Rot. Bonds1

About 3-(1-fluoroprop-1-enyl)oxetane-2,4-dione

3-(1-fluoroprop-1-enyl)oxetane-2,4-dione (PubChem CID 174971489) has the molecular formula C6H5FO3 and a molecular weight of 144.10 g/mol. Its IUPAC name is 3-(1-fluoroprop-1-enyl)oxetane-2,4-dione.

Molecular Properties

Compound Name3-(1-fluoroprop-1-enyl)oxetane-2,4-dione
PubChem CID174971489
Molecular FormulaC6H5FO3
Molecular Weight144.10 g/mol
Exact Mass144.02
IUPAC Name3-(1-fluoroprop-1-enyl)oxetane-2,4-dione
SMILESCC=C(F)C1C(=O)OC1=O
InChIInChI=1S/C6H5FO3/c1-2-3(7)4-5(8)10-6(4)9/h2,4H,1H3
InChIKeyULSRSVWDZCGJTH-UHFFFAOYSA-N
XLogP0.56
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.10
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroprop-1-enyl)oxetane-2,4-dione?
The IUPAC name of 3-(1-fluoroprop-1-enyl)oxetane-2,4-dione (CID 174971489) is 3-(1-fluoroprop-1-enyl)oxetane-2,4-dione.
What is the SMILES notation for 3-(1-fluoroprop-1-enyl)oxetane-2,4-dione?
The canonical SMILES for 3-(1-fluoroprop-1-enyl)oxetane-2,4-dione is CC=C(F)C1C(=O)OC1=O.
What is the InChIKey of 3-(1-fluoroprop-1-enyl)oxetane-2,4-dione?
The InChIKey is ULSRSVWDZCGJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FO3/c1-2-3(7)4-5(8)10-6(4)9/h2,4H,1H3.
What are the key properties of 3-(1-fluoroprop-1-enyl)oxetane-2,4-dione?
3-(1-fluoroprop-1-enyl)oxetane-2,4-dione has a molecular weight of 144.10 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroprop-1-enyl)oxetane-2,4-dione is sourced from PubChem (CID 174971489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).