2,2,2-trifluoro-N-methoxy-1-[4-[N-methoxy-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine

C12H10F6N2O2 — CID 59115160

IUPAC2,2,2-trifluoro-N-methoxy-1-[4-[N-methoxy-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine
SMILESCON=C(c1ccc(C(=NOC)C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C12H10F6N2O2/c1-21-19-9(11(13,14)15)7-3-5-8(6-4-7)10(20-22-2)12(16,17)18/h3-6H,1-2H3
InChIKeyJYAJJBQYGAJODZ-UHFFFAOYSA-N
MW328.21 g/mol
LogP3.51
Rot. Bonds4

About 2,2,2-trifluoro-N-methoxy-1-[4-[N-methoxy-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine

2,2,2-trifluoro-N-methoxy-1-[4-[N-methoxy-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine (PubChem CID 59115160) has the molecular formula C12H10F6N2O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methoxy-1-[4-[N-methoxy-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methoxy-1-[4-[N-methoxy-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine
PubChem CID59115160
Molecular FormulaC12H10F6N2O2
Molecular Weight328.21 g/mol
Exact Mass328.06
IUPAC Name2,2,2-trifluoro-N-methoxy-1-[4-[N-methoxy-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine
SMILESCON=C(c1ccc(C(=NOC)C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C12H10F6N2O2/c1-21-19-9(11(13,14)15)7-3-5-8(6-4-7)10(20-22-2)12(16,17)18/h3-6H,1-2H3
InChIKeyJYAJJBQYGAJODZ-UHFFFAOYSA-N
XLogP3.51
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine
CID 74009025
(Z)-1-[3-(2,2-dimethylpropoxy)phenyl]-2,2,2-trifluoro-N-methoxyethanimine
CID 22963052
[(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] N-methylcarbamate
CID 134121037
2,2,2-trifluoro-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 53483171
[[2,2,2-trifluoro-1-(4-hydroxyphenyl)ethylidene]amino] sulfite
CID 163637076
(Z)-2,2,2-trifluoro-N-methylsulfanyloxy-1-[4-[3-[4-[(Z)-N-methylsulfanyloxy-C-(trifluoromethyl)carbonimidoyl]phenoxy]propoxy]phenyl]ethanimine
CID 58241618
2-[[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]amino]oxyacetamide
CID 71321698
[(Z)-[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]amino] trifluoromethanesulfonate
CID 140525159
potassium (2S)-2-[[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino]propanoate
CID 102402408
N'-methoxy-4-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 58478039
methyl (1Z)-2,2,2-trifluoro-N-methoxyethanimidothioate
CID 146619277
1-(4-ethoxyphenyl)-2,2,2-trifluoro-N-methylethanimine
CID 21020679

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methoxy-1-[4-[N-methoxy-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine?
The IUPAC name of 2,2,2-trifluoro-N-methoxy-1-[4-[N-methoxy-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine (CID 59115160) is 2,2,2-trifluoro-N-methoxy-1-[4-[N-methoxy-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine.
What is the SMILES notation for 2,2,2-trifluoro-N-methoxy-1-[4-[N-methoxy-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine?
The canonical SMILES for 2,2,2-trifluoro-N-methoxy-1-[4-[N-methoxy-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine is CON=C(c1ccc(C(=NOC)C(F)(F)F)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methoxy-1-[4-[N-methoxy-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine?
The InChIKey is JYAJJBQYGAJODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F6N2O2/c1-21-19-9(11(13,14)15)7-3-5-8(6-4-7)10(20-22-2)12(16,17)18/h3-6H,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methoxy-1-[4-[N-methoxy-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine?
2,2,2-trifluoro-N-methoxy-1-[4-[N-methoxy-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine has a molecular weight of 328.21 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methoxy-1-[4-[N-methoxy-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine is sourced from PubChem (CID 59115160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).