[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2-ethenylcyclopropane-1-carboperoxoate

C15H14F4O4 — CID 143508005

IUPAC[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2-ethenylcyclopropane-1-carboperoxoate
SMILESC=CC1CC1C(=O)OOCc1c(F)c(F)c(COC)c(F)c1F
InChIInChI=1S/C15H14F4O4/c1-3-7-4-8(7)15(20)23-22-6-10-13(18)11(16)9(5-21-2)12(17)14(10)19/h3,7-8H,1,4-6H2,2H3
InChIKeyGCTDZMCKKSYSJE-UHFFFAOYSA-N
MW334.27 g/mol
LogP3.19
Rot. Bonds7

About [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2-ethenylcyclopropane-1-carboperoxoate

[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2-ethenylcyclopropane-1-carboperoxoate (PubChem CID 143508005) has the molecular formula C15H14F4O4 and a molecular weight of 334.27 g/mol. Its IUPAC name is [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2-ethenylcyclopropane-1-carboperoxoate.

Molecular Properties

Compound Name[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2-ethenylcyclopropane-1-carboperoxoate
PubChem CID143508005
Molecular FormulaC15H14F4O4
Molecular Weight334.27 g/mol
Exact Mass334.08
IUPAC Name[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2-ethenylcyclopropane-1-carboperoxoate
SMILESC=CC1CC1C(=O)OOCc1c(F)c(F)c(COC)c(F)c1F
InChIInChI=1S/C15H14F4O4/c1-3-7-4-8(7)15(20)23-22-6-10-13(18)11(16)9(5-21-2)12(17)14(10)19/h3,7-8H,1,4-6H2,2H3
InChIKeyGCTDZMCKKSYSJE-UHFFFAOYSA-N
XLogP3.19
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.27
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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 [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2-ethenylcyclopropane-1-carboperoxoate?
The IUPAC name of [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2-ethenylcyclopropane-1-carboperoxoate (CID 143508005) is [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2-ethenylcyclopropane-1-carboperoxoate.
What is the SMILES notation for [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2-ethenylcyclopropane-1-carboperoxoate?
The canonical SMILES for [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2-ethenylcyclopropane-1-carboperoxoate is C=CC1CC1C(=O)OOCc1c(F)c(F)c(COC)c(F)c1F.
What is the InChIKey of [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2-ethenylcyclopropane-1-carboperoxoate?
The InChIKey is GCTDZMCKKSYSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4O4/c1-3-7-4-8(7)15(20)23-22-6-10-13(18)11(16)9(5-21-2)12(17)14(10)19/h3,7-8H,1,4-6H2,2H3.
What are the key properties of [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2-ethenylcyclopropane-1-carboperoxoate?
[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2-ethenylcyclopropane-1-carboperoxoate has a molecular weight of 334.27 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2-ethenylcyclopropane-1-carboperoxoate is sourced from PubChem (CID 143508005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).