trifluoromethylperoxyethene

C3H3F3O2 — CID 87620739

IUPACtrifluoromethylperoxyethene
SMILESC=COOC(F)(F)F
InChIInChI=1S/C3H3F3O2/c1-2-7-8-3(4,5)6/h2H,1H2
InChIKeyYDSJAJTXTWWMIF-UHFFFAOYSA-N
MW128.05 g/mol
LogP1.60
Rot. Bonds2

About trifluoromethylperoxyethene

trifluoromethylperoxyethene (PubChem CID 87620739) has the molecular formula C3H3F3O2 and a molecular weight of 128.05 g/mol. Its IUPAC name is trifluoromethylperoxyethene.

Molecular Properties

Compound Nametrifluoromethylperoxyethene
PubChem CID87620739
Molecular FormulaC3H3F3O2
Molecular Weight128.05 g/mol
Exact Mass128.01
IUPAC Nametrifluoromethylperoxyethene
SMILESC=COOC(F)(F)F
InChIInChI=1S/C3H3F3O2/c1-2-7-8-3(4,5)6/h2H,1H2
InChIKeyYDSJAJTXTWWMIF-UHFFFAOYSA-N
XLogP1.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.05
LogP ≤ 51.60
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'}

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Frequently Asked Questions

What is the IUPAC name of trifluoromethylperoxyethene?
The IUPAC name of trifluoromethylperoxyethene (CID 87620739) is trifluoromethylperoxyethene.
What is the SMILES notation for trifluoromethylperoxyethene?
The canonical SMILES for trifluoromethylperoxyethene is C=COOC(F)(F)F.
What is the InChIKey of trifluoromethylperoxyethene?
The InChIKey is YDSJAJTXTWWMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3O2/c1-2-7-8-3(4,5)6/h2H,1H2.
What are the key properties of trifluoromethylperoxyethene?
trifluoromethylperoxyethene has a molecular weight of 128.05 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethylperoxyethene is sourced from PubChem (CID 87620739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).