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Potassium;methanol;methyl-[(Z)-1-[3-methyl-2-[[(E)-[3,3,3-trifluoro-1-[3-(trifluoromethyl)phenyl]propylidene]amino]oxymethyl]phenyl]pent-1-enyl]azanide

C25H29F6KN2O2 — CID 157023854

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACpotassium;methanol;methyl-[(Z)-1-[3-methyl-2-[[(E)-[3,3,3-trifluoro-1-[3-(trifluoromethyl)phenyl]propylidene]amino]oxymethyl]phenyl]pent-1-enyl]azanide
SMILESCCC/C=C(\[N-]C)c1cccc(C)c1CO/N=C(\CC(F)(F)F)c1cccc(C(F)(F)F)c1.CO.[K+]
InChIInChI=1S/C24H25F6N2O.CH4O.K/c1-4-5-12-21(31-3)19-11-6-8-16(2)20(19)15-33-32-22(14-23(25,26)27)17-9-7-10-18(13-17)24(28,29)30;1-2;/h6-13H,4-5,14-15H2,1-3H3;2H,1H3;/q-1;;+1/b21-12-,32-22+;;
InChIKeyVRQZOOJJCBQIIZ-ZWACOCPBSA-N
MW542.61 g/mol
LogP4.64
Rot. Bonds9

About Potassium;methanol;methyl-[(Z)-1-[3-methyl-2-[[(E)-[3,3,3-trifluoro-1-[3-(trifluoromethyl)phenyl]propylidene]amino]oxymethyl]phenyl]pent-1-enyl]azanide

Potassium;methanol;methyl-[(Z)-1-[3-methyl-2-[[(E)-[3,3,3-trifluoro-1-[3-(trifluoromethyl)phenyl]propylidene]amino]oxymethyl]phenyl]pent-1-enyl]azanide (PubChem CID 157023854) has the molecular formula C25H29F6KN2O2 and a molecular weight of 542.61 g/mol. Its IUPAC name is potassium;methanol;methyl-[(Z)-1-[3-methyl-2-[[(E)-[3,3,3-trifluoro-1-[3-(trifluoromethyl)phenyl]propylidene]amino]oxymethyl]phenyl]pent-1-enyl]azanide.

Molecular Properties

Compound NamePotassium;methanol;methyl-[(Z)-1-[3-methyl-2-[[(E)-[3,3,3-trifluoro-1-[3-(trifluoromethyl)phenyl]propylidene]amino]oxymethyl]phenyl]pent-1-enyl]azanide
PubChem CID157023854
Molecular FormulaC25H29F6KN2O2
Molecular Weight542.61 g/mol
Exact Mass542.18
IUPAC Namepotassium;methanol;methyl-[(Z)-1-[3-methyl-2-[[(E)-[3,3,3-trifluoro-1-[3-(trifluoromethyl)phenyl]propylidene]amino]oxymethyl]phenyl]pent-1-enyl]azanide
SMILESCCC/C=C(\[N-]C)c1cccc(C)c1CO/N=C(\CC(F)(F)F)c1cccc(C(F)(F)F)c1.CO.[K+]
InChIInChI=1S/C24H25F6N2O.CH4O.K/c1-4-5-12-21(31-3)19-11-6-8-16(2)20(19)15-33-32-22(14-23(25,26)27)17-9-7-10-18(13-17)24(28,29)30;1-2;/h6-13H,4-5,14-15H2,1-3H3;2H,1H3;/q-1;;+1/b21-12-,32-22+;;
InChIKeyVRQZOOJJCBQIIZ-ZWACOCPBSA-N
XLogP4.64
TPSA55.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.61
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of Potassium;methanol;methyl-[(Z)-1-[3-methyl-2-[[(E)-[3,3,3-trifluoro-1-[3-(trifluoromethyl)phenyl]propylidene]amino]oxymethyl]phenyl]pent-1-enyl]azanide?
The IUPAC name of Potassium;methanol;methyl-[(Z)-1-[3-methyl-2-[[(E)-[3,3,3-trifluoro-1-[3-(trifluoromethyl)phenyl]propylidene]amino]oxymethyl]phenyl]pent-1-enyl]azanide (CID 157023854) is potassium;methanol;methyl-[(Z)-1-[3-methyl-2-[[(E)-[3,3,3-trifluoro-1-[3-(trifluoromethyl)phenyl]propylidene]amino]oxymethyl]phenyl]pent-1-enyl]azanide.
What is the SMILES notation for Potassium;methanol;methyl-[(Z)-1-[3-methyl-2-[[(E)-[3,3,3-trifluoro-1-[3-(trifluoromethyl)phenyl]propylidene]amino]oxymethyl]phenyl]pent-1-enyl]azanide?
The canonical SMILES for Potassium;methanol;methyl-[(Z)-1-[3-methyl-2-[[(E)-[3,3,3-trifluoro-1-[3-(trifluoromethyl)phenyl]propylidene]amino]oxymethyl]phenyl]pent-1-enyl]azanide is CCC/C=C(\[N-]C)c1cccc(C)c1CO/N=C(\CC(F)(F)F)c1cccc(C(F)(F)F)c1.CO.[K+].
What is the InChIKey of Potassium;methanol;methyl-[(Z)-1-[3-methyl-2-[[(E)-[3,3,3-trifluoro-1-[3-(trifluoromethyl)phenyl]propylidene]amino]oxymethyl]phenyl]pent-1-enyl]azanide?
The InChIKey is VRQZOOJJCBQIIZ-ZWACOCPBSA-N. The full InChI is InChI=1S/C24H25F6N2O.CH4O.K/c1-4-5-12-21(31-3)19-11-6-8-16(2)20(19)15-33-32-22(14-23(25,26)27)17-9-7-10-18(13-17)24(28,29)30;1-2;/h6-13H,4-5,14-15H2,1-3H3;2H,1H3;/q-1;;+1/b21-12-,32-22+;;.
What are the key properties of Potassium;methanol;methyl-[(Z)-1-[3-methyl-2-[[(E)-[3,3,3-trifluoro-1-[3-(trifluoromethyl)phenyl]propylidene]amino]oxymethyl]phenyl]pent-1-enyl]azanide?
Potassium;methanol;methyl-[(Z)-1-[3-methyl-2-[[(E)-[3,3,3-trifluoro-1-[3-(trifluoromethyl)phenyl]propylidene]amino]oxymethyl]phenyl]pent-1-enyl]azanide has a molecular weight of 542.61 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Potassium;methanol;methyl-[(Z)-1-[3-methyl-2-[[(E)-[3,3,3-trifluoro-1-[3-(trifluoromethyl)phenyl]propylidene]amino]oxymethyl]phenyl]pent-1-enyl]azanide is sourced from PubChem (CID 157023854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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