potassium;ethane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetate

C12H13F3KNO2 — CID 143181605

IUPACpotassium;ethane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetate
SMILESCC.O=C([O-])C/N=C(\c1ccccc1)C(F)(F)F.[K+]
InChIInChI=1S/C10H8F3NO2.C2H6.K/c11-10(12,13)9(14-6-8(15)16)7-4-2-1-3-5-7;1-2;/h1-5H,6H2,(H,15,16);1-2H3;/q;;+1/p-1/b14-9+;;
InChIKeyIKKLVWBLOXFDCB-CAJRCRMVSA-M
MW299.33 g/mol
LogP-1.18
Rot. Bonds3

About potassium;ethane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetate

potassium;ethane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetate (PubChem CID 143181605) has the molecular formula C12H13F3KNO2 and a molecular weight of 299.33 g/mol. Its IUPAC name is potassium;ethane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetate.

Molecular Properties

Compound Namepotassium;ethane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetate
PubChem CID143181605
Molecular FormulaC12H13F3KNO2
Molecular Weight299.33 g/mol
Exact Mass299.05
IUPAC Namepotassium;ethane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetate
SMILESCC.O=C([O-])C/N=C(\c1ccccc1)C(F)(F)F.[K+]
InChIInChI=1S/C10H8F3NO2.C2H6.K/c11-10(12,13)9(14-6-8(15)16)7-4-2-1-3-5-7;1-2;/h1-5H,6H2,(H,15,16);1-2H3;/q;;+1/p-1/b14-9+;;
InChIKeyIKKLVWBLOXFDCB-CAJRCRMVSA-M
XLogP-1.18
TPSA52.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-1.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-octyl-1-phenylethanimine
CID 102263374
2,2,2-trifluoro-1-phenyl-N-(2-phenylethyl)ethanimine
CID 10912810
(2R)-2-methyl-2-[(2,2,2-trifluoro-1-phenylethylidene)amino]butanoic acid
CID 87795705
ethane;methane;1,1,1-trifluoroethane;tribenzoate
CID 157495316
2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine
CID 11323391
N-methyl-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]methanamine
CID 138963203
N-[(2,2,2-trifluoro-1-phenylethylidene)amino]benzamide
CID 129248931
ethane;benzoate
CID 161103305
ethane;benzoate
CID 90830280
1,1,1-trifluoro-4-methylimino-4-phenylbutan-2-one
CID 7392503
potassium 2,2-difluoro-3-oxo-3-phenylpropanoate
CID 132514388
fluoromethane benzoate
CID 162095004

Frequently Asked Questions

What is the IUPAC name of potassium;ethane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetate?
The IUPAC name of potassium;ethane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetate (CID 143181605) is potassium;ethane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetate.
What is the SMILES notation for potassium;ethane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetate?
The canonical SMILES for potassium;ethane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetate is CC.O=C([O-])C/N=C(\c1ccccc1)C(F)(F)F.[K+].
What is the InChIKey of potassium;ethane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetate?
The InChIKey is IKKLVWBLOXFDCB-CAJRCRMVSA-M. The full InChI is InChI=1S/C10H8F3NO2.C2H6.K/c11-10(12,13)9(14-6-8(15)16)7-4-2-1-3-5-7;1-2;/h1-5H,6H2,(H,15,16);1-2H3;/q;;+1/p-1/b14-9+;;.
What are the key properties of potassium;ethane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetate?
potassium;ethane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetate has a molecular weight of 299.33 g/mol, XLogP of -1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;ethane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetate is sourced from PubChem (CID 143181605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).