N'-ethenyl-2,2,2-trifluoro-N-methyl-N-(trifluoromethyl)ethanimidamide

C6H6F6N2 — CID 134257501

IUPACN'-ethenyl-2,2,2-trifluoro-N-methyl-N-(trifluoromethyl)ethanimidamide
SMILESC=C/N=C(/N(C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6N2/c1-3-13-4(5(7,8)9)14(2)6(10,11)12/h3H,1H2,2H3/b13-4+
InChIKeyXSJKAUIMAANNJF-YIXHJXPBSA-N
MW220.12 g/mol
LogP2.54
Rot. Bonds1

About N'-ethenyl-2,2,2-trifluoro-N-methyl-N-(trifluoromethyl)ethanimidamide

N'-ethenyl-2,2,2-trifluoro-N-methyl-N-(trifluoromethyl)ethanimidamide (PubChem CID 134257501) has the molecular formula C6H6F6N2 and a molecular weight of 220.12 g/mol. Its IUPAC name is N'-ethenyl-2,2,2-trifluoro-N-methyl-N-(trifluoromethyl)ethanimidamide.

Molecular Properties

Compound NameN'-ethenyl-2,2,2-trifluoro-N-methyl-N-(trifluoromethyl)ethanimidamide
PubChem CID134257501
Molecular FormulaC6H6F6N2
Molecular Weight220.12 g/mol
Exact Mass220.04
IUPAC NameN'-ethenyl-2,2,2-trifluoro-N-methyl-N-(trifluoromethyl)ethanimidamide
SMILESC=C/N=C(/N(C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6N2/c1-3-13-4(5(7,8)9)14(2)6(10,11)12/h3H,1H2,2H3/b13-4+
InChIKeyXSJKAUIMAANNJF-YIXHJXPBSA-N
XLogP2.54
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.12
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-2,2,2-trifluoro-N-methyl-N-(trifluoromethyl)ethanimidamide?
The IUPAC name of N'-ethenyl-2,2,2-trifluoro-N-methyl-N-(trifluoromethyl)ethanimidamide (CID 134257501) is N'-ethenyl-2,2,2-trifluoro-N-methyl-N-(trifluoromethyl)ethanimidamide.
What is the SMILES notation for N'-ethenyl-2,2,2-trifluoro-N-methyl-N-(trifluoromethyl)ethanimidamide?
The canonical SMILES for N'-ethenyl-2,2,2-trifluoro-N-methyl-N-(trifluoromethyl)ethanimidamide is C=C/N=C(/N(C)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N'-ethenyl-2,2,2-trifluoro-N-methyl-N-(trifluoromethyl)ethanimidamide?
The InChIKey is XSJKAUIMAANNJF-YIXHJXPBSA-N. The full InChI is InChI=1S/C6H6F6N2/c1-3-13-4(5(7,8)9)14(2)6(10,11)12/h3H,1H2,2H3/b13-4+.
What are the key properties of N'-ethenyl-2,2,2-trifluoro-N-methyl-N-(trifluoromethyl)ethanimidamide?
N'-ethenyl-2,2,2-trifluoro-N-methyl-N-(trifluoromethyl)ethanimidamide has a molecular weight of 220.12 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-2,2,2-trifluoro-N-methyl-N-(trifluoromethyl)ethanimidamide is sourced from PubChem (CID 134257501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).