3-fluoro-3-(1-fluoroprop-2-enylperoxy)prop-1-ene

C6H8F2O2 — CID 87098115

IUPAC3-fluoro-3-(1-fluoroprop-2-enylperoxy)prop-1-ene
SMILESC=CC(F)OOC(F)C=C
InChIInChI=1S/C6H8F2O2/c1-3-5(7)9-10-6(8)4-2/h3-6H,1-2H2
InChIKeyHPTBKFGDLACTBD-UHFFFAOYSA-N
MW150.12 g/mol
LogP1.90
Rot. Bonds5

About 3-fluoro-3-(1-fluoroprop-2-enylperoxy)prop-1-ene

3-fluoro-3-(1-fluoroprop-2-enylperoxy)prop-1-ene (PubChem CID 87098115) has the molecular formula C6H8F2O2 and a molecular weight of 150.12 g/mol. Its IUPAC name is 3-fluoro-3-(1-fluoroprop-2-enylperoxy)prop-1-ene.

Molecular Properties

Compound Name3-fluoro-3-(1-fluoroprop-2-enylperoxy)prop-1-ene
PubChem CID87098115
Molecular FormulaC6H8F2O2
Molecular Weight150.12 g/mol
Exact Mass150.05
IUPAC Name3-fluoro-3-(1-fluoroprop-2-enylperoxy)prop-1-ene
SMILESC=CC(F)OOC(F)C=C
InChIInChI=1S/C6H8F2O2/c1-3-5(7)9-10-6(8)4-2/h3-6H,1-2H2
InChIKeyHPTBKFGDLACTBD-UHFFFAOYSA-N
XLogP1.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.12
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-fluoro-3-(1-fluoroprop-2-enylperoxy)prop-1-ene?
The IUPAC name of 3-fluoro-3-(1-fluoroprop-2-enylperoxy)prop-1-ene (CID 87098115) is 3-fluoro-3-(1-fluoroprop-2-enylperoxy)prop-1-ene.
What is the SMILES notation for 3-fluoro-3-(1-fluoroprop-2-enylperoxy)prop-1-ene?
The canonical SMILES for 3-fluoro-3-(1-fluoroprop-2-enylperoxy)prop-1-ene is C=CC(F)OOC(F)C=C.
What is the InChIKey of 3-fluoro-3-(1-fluoroprop-2-enylperoxy)prop-1-ene?
The InChIKey is HPTBKFGDLACTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O2/c1-3-5(7)9-10-6(8)4-2/h3-6H,1-2H2.
What are the key properties of 3-fluoro-3-(1-fluoroprop-2-enylperoxy)prop-1-ene?
3-fluoro-3-(1-fluoroprop-2-enylperoxy)prop-1-ene has a molecular weight of 150.12 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(1-fluoroprop-2-enylperoxy)prop-1-ene is sourced from PubChem (CID 87098115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).