3-(fluoromethylperoxy)prop-1-ene

C4H7FO2 — CID 91254114

IUPAC3-(fluoromethylperoxy)prop-1-ene
SMILESC=CCOOCF
InChIInChI=1S/C4H7FO2/c1-2-3-6-7-4-5/h2H,1,3-4H2
InChIKeyDLHBJMWYSCNXRJ-UHFFFAOYSA-N
MW106.10 g/mol
LogP1.05
Rot. Bonds4

About 3-(fluoromethylperoxy)prop-1-ene

3-(fluoromethylperoxy)prop-1-ene (PubChem CID 91254114) has the molecular formula C4H7FO2 and a molecular weight of 106.10 g/mol. Its IUPAC name is 3-(fluoromethylperoxy)prop-1-ene.

Molecular Properties

Compound Name3-(fluoromethylperoxy)prop-1-ene
PubChem CID91254114
Molecular FormulaC4H7FO2
Molecular Weight106.10 g/mol
Exact Mass106.04
IUPAC Name3-(fluoromethylperoxy)prop-1-ene
SMILESC=CCOOCF
InChIInChI=1S/C4H7FO2/c1-2-3-6-7-4-5/h2H,1,3-4H2
InChIKeyDLHBJMWYSCNXRJ-UHFFFAOYSA-N
XLogP1.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.10
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 3-(fluoromethylperoxy)prop-1-ene?
The IUPAC name of 3-(fluoromethylperoxy)prop-1-ene (CID 91254114) is 3-(fluoromethylperoxy)prop-1-ene.
What is the SMILES notation for 3-(fluoromethylperoxy)prop-1-ene?
The canonical SMILES for 3-(fluoromethylperoxy)prop-1-ene is C=CCOOCF.
What is the InChIKey of 3-(fluoromethylperoxy)prop-1-ene?
The InChIKey is DLHBJMWYSCNXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO2/c1-2-3-6-7-4-5/h2H,1,3-4H2.
What are the key properties of 3-(fluoromethylperoxy)prop-1-ene?
3-(fluoromethylperoxy)prop-1-ene has a molecular weight of 106.10 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethylperoxy)prop-1-ene is sourced from PubChem (CID 91254114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).