2,2,2-trifluoro-N'-methyl-N-[(E)-2-(methylamino)ethenyl]ethanimidamide

C6H10F3N3 — CID 166888833

IUPAC2,2,2-trifluoro-N'-methyl-N-[(E)-2-(methylamino)ethenyl]ethanimidamide
SMILESC/N=C(\N/C=C/NC)C(F)(F)F
InChIInChI=1S/C6H10F3N3/c1-10-3-4-12-5(11-2)6(7,8)9/h3-4,10H,1-2H3,(H,11,12)/b4-3+
InChIKeyMVOZFPCDNQUJJH-ONEGZZNKSA-N
MW181.16 g/mol
LogP0.86
Rot. Bonds2

About 2,2,2-trifluoro-N'-methyl-N-[(E)-2-(methylamino)ethenyl]ethanimidamide

2,2,2-trifluoro-N'-methyl-N-[(E)-2-(methylamino)ethenyl]ethanimidamide (PubChem CID 166888833) has the molecular formula C6H10F3N3 and a molecular weight of 181.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N'-methyl-N-[(E)-2-(methylamino)ethenyl]ethanimidamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N'-methyl-N-[(E)-2-(methylamino)ethenyl]ethanimidamide
PubChem CID166888833
Molecular FormulaC6H10F3N3
Molecular Weight181.16 g/mol
Exact Mass181.08
IUPAC Name2,2,2-trifluoro-N'-methyl-N-[(E)-2-(methylamino)ethenyl]ethanimidamide
SMILESC/N=C(\N/C=C/NC)C(F)(F)F
InChIInChI=1S/C6H10F3N3/c1-10-3-4-12-5(11-2)6(7,8)9/h3-4,10H,1-2H3,(H,11,12)/b4-3+
InChIKeyMVOZFPCDNQUJJH-ONEGZZNKSA-N
XLogP0.86
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N'-methyl-N-[(E)-2-(methylamino)ethenyl]ethanimidamide?
The IUPAC name of 2,2,2-trifluoro-N'-methyl-N-[(E)-2-(methylamino)ethenyl]ethanimidamide (CID 166888833) is 2,2,2-trifluoro-N'-methyl-N-[(E)-2-(methylamino)ethenyl]ethanimidamide.
What is the SMILES notation for 2,2,2-trifluoro-N'-methyl-N-[(E)-2-(methylamino)ethenyl]ethanimidamide?
The canonical SMILES for 2,2,2-trifluoro-N'-methyl-N-[(E)-2-(methylamino)ethenyl]ethanimidamide is C/N=C(\N/C=C/NC)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N'-methyl-N-[(E)-2-(methylamino)ethenyl]ethanimidamide?
The InChIKey is MVOZFPCDNQUJJH-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H10F3N3/c1-10-3-4-12-5(11-2)6(7,8)9/h3-4,10H,1-2H3,(H,11,12)/b4-3+.
What are the key properties of 2,2,2-trifluoro-N'-methyl-N-[(E)-2-(methylamino)ethenyl]ethanimidamide?
2,2,2-trifluoro-N'-methyl-N-[(E)-2-(methylamino)ethenyl]ethanimidamide has a molecular weight of 181.16 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N'-methyl-N-[(E)-2-(methylamino)ethenyl]ethanimidamide is sourced from PubChem (CID 166888833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).