(Z)-2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)sulfanyloxyperoxyethanimine

C15H7F8NO4S — CID 21020684

IUPAC(Z)-2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)sulfanyloxyperoxyethanimine
SMILESCOc1ccc(/C(=N/OOOSc2c(F)c(F)c(F)c(F)c2F)C(F)(F)F)cc1
InChIInChI=1S/C15H7F8NO4S/c1-25-7-4-2-6(3-5-7)14(15(21,22)23)24-26-27-28-29-13-11(19)9(17)8(16)10(18)12(13)20/h2-5H,1H3/b24-14-
InChIKeyFEXFWEXGZOLKMX-OYKKKHCWSA-N
MW449.28 g/mol
LogP5.24
Rot. Bonds7

About (Z)-2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)sulfanyloxyperoxyethanimine

(Z)-2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)sulfanyloxyperoxyethanimine (PubChem CID 21020684) has the molecular formula C15H7F8NO4S and a molecular weight of 449.28 g/mol. Its IUPAC name is (Z)-2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)sulfanyloxyperoxyethanimine.

Molecular Properties

Compound Name(Z)-2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)sulfanyloxyperoxyethanimine
PubChem CID21020684
Molecular FormulaC15H7F8NO4S
Molecular Weight449.28 g/mol
Exact Mass449.00
IUPAC Name(Z)-2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)sulfanyloxyperoxyethanimine
SMILESCOc1ccc(/C(=N/OOOSc2c(F)c(F)c(F)c(F)c2F)C(F)(F)F)cc1
InChIInChI=1S/C15H7F8NO4S/c1-25-7-4-2-6(3-5-7)14(15(21,22)23)24-26-27-28-29-13-11(19)9(17)8(16)10(18)12(13)20/h2-5H,1H3/b24-14-
InChIKeyFEXFWEXGZOLKMX-OYKKKHCWSA-N
XLogP5.24
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.28
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)sulfanyloxyperoxyethanimine with MolForge

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

Launch Full Analysis

Related Compounds

(NE)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]hydroxylamine
CID 70683246
2,2,2-Trifluoro-1-(4-methoxyphenyl)-1-ethanone oxime
CID 10376114
(E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxyethanimine
CID 135075443
(NE,R)-2-methyl-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]propane-2-sulfinamide
CID 135077951
(NE,S)-2-methyl-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]propane-2-sulfinamide
CID 135078550
1-(2-fluoro-4-methoxyphenyl)ethanone O,O'-methyleneoxime
CID 5728617
Acetophenone, 4'-methoxy, PFBO # 1
CID 91752815
[(E)-[2,2,2-trifluoro-1-(3-methoxyphenyl)ethylidene]amino] 4-methylbenzenesulfonate
CID 10474476
alpha,alpha,alpha-Trifluoro-4'-methoxyacetophenone (E)-oxime
CID 13238648
[(Z)-[cyano-(4-methoxyphenyl)methylidene]amino] trifluoromethanesulfonate
CID 15404369
[(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] propane-1-sulfonate
CID 18674526
(NZ)-N-[2,2,2-trifluoro-1-(4-phenoxyphenyl)ethylidene]hydroxylamine
CID 18674531

Frequently Asked Questions

What is the IUPAC name of (Z)-2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)sulfanyloxyperoxyethanimine?
The IUPAC name of (Z)-2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)sulfanyloxyperoxyethanimine (CID 21020684) is (Z)-2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)sulfanyloxyperoxyethanimine.
What is the SMILES notation for (Z)-2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)sulfanyloxyperoxyethanimine?
The canonical SMILES for (Z)-2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)sulfanyloxyperoxyethanimine is COc1ccc(/C(=N/OOOSc2c(F)c(F)c(F)c(F)c2F)C(F)(F)F)cc1.
What is the InChIKey of (Z)-2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)sulfanyloxyperoxyethanimine?
The InChIKey is FEXFWEXGZOLKMX-OYKKKHCWSA-N. The full InChI is InChI=1S/C15H7F8NO4S/c1-25-7-4-2-6(3-5-7)14(15(21,22)23)24-26-27-28-29-13-11(19)9(17)8(16)10(18)12(13)20/h2-5H,1H3/b24-14-.
What are the key properties of (Z)-2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)sulfanyloxyperoxyethanimine?
(Z)-2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)sulfanyloxyperoxyethanimine has a molecular weight of 449.28 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)sulfanyloxyperoxyethanimine is sourced from PubChem (CID 21020684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).