prop-1-enoxy hypofluorite

C3H5FO2 — CID 173375021

IUPACprop-1-enoxy hypofluorite
SMILESCC=COOF
InChIInChI=1S/C3H5FO2/c1-2-3-5-6-4/h2-3H,1H3
InChIKeyCYBJWKDEVMUYPE-UHFFFAOYSA-N
MW92.07 g/mol
LogP1.35
Rot. Bonds2

About prop-1-enoxy hypofluorite

prop-1-enoxy hypofluorite (PubChem CID 173375021) has the molecular formula C3H5FO2 and a molecular weight of 92.07 g/mol. Its IUPAC name is prop-1-enoxy hypofluorite.

Molecular Properties

Compound Nameprop-1-enoxy hypofluorite
PubChem CID173375021
Molecular FormulaC3H5FO2
Molecular Weight92.07 g/mol
Exact Mass92.03
IUPAC Nameprop-1-enoxy hypofluorite
SMILESCC=COOF
InChIInChI=1S/C3H5FO2/c1-2-3-5-6-4/h2-3H,1H3
InChIKeyCYBJWKDEVMUYPE-UHFFFAOYSA-N
XLogP1.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.07
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze prop-1-enoxy hypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-1-enoxy hypofluorite?
The IUPAC name of prop-1-enoxy hypofluorite (CID 173375021) is prop-1-enoxy hypofluorite.
What is the SMILES notation for prop-1-enoxy hypofluorite?
The canonical SMILES for prop-1-enoxy hypofluorite is CC=COOF.
What is the InChIKey of prop-1-enoxy hypofluorite?
The InChIKey is CYBJWKDEVMUYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO2/c1-2-3-5-6-4/h2-3H,1H3.
What are the key properties of prop-1-enoxy hypofluorite?
prop-1-enoxy hypofluorite has a molecular weight of 92.07 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-enoxy hypofluorite is sourced from PubChem (CID 173375021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).