N-ethenyl-2,2,2-trifluoro-N'-(methyliminomethyl)ethanimidamide

C6H8F3N3 — CID 134191904

IUPACN-ethenyl-2,2,2-trifluoro-N'-(methyliminomethyl)ethanimidamide
SMILESC=CN/C(=N\C=N\C)C(F)(F)F
InChIInChI=1S/C6H8F3N3/c1-3-11-5(6(7,8)9)12-4-10-2/h3-4H,1H2,2H3,(H,10,11,12)
InChIKeyMCVKAMDQOGIAIV-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.34
Rot. Bonds2

About N-ethenyl-2,2,2-trifluoro-N'-(methyliminomethyl)ethanimidamide

N-ethenyl-2,2,2-trifluoro-N'-(methyliminomethyl)ethanimidamide (PubChem CID 134191904) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is N-ethenyl-2,2,2-trifluoro-N'-(methyliminomethyl)ethanimidamide.

Molecular Properties

Compound NameN-ethenyl-2,2,2-trifluoro-N'-(methyliminomethyl)ethanimidamide
PubChem CID134191904
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC NameN-ethenyl-2,2,2-trifluoro-N'-(methyliminomethyl)ethanimidamide
SMILESC=CN/C(=N\C=N\C)C(F)(F)F
InChIInChI=1S/C6H8F3N3/c1-3-11-5(6(7,8)9)12-4-10-2/h3-4H,1H2,2H3,(H,10,11,12)
InChIKeyMCVKAMDQOGIAIV-UHFFFAOYSA-N
XLogP1.34
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-ethenyl-2,2,2-trifluoro-N'-(methyliminomethyl)ethanimidamide?
The IUPAC name of N-ethenyl-2,2,2-trifluoro-N'-(methyliminomethyl)ethanimidamide (CID 134191904) is N-ethenyl-2,2,2-trifluoro-N'-(methyliminomethyl)ethanimidamide.
What is the SMILES notation for N-ethenyl-2,2,2-trifluoro-N'-(methyliminomethyl)ethanimidamide?
The canonical SMILES for N-ethenyl-2,2,2-trifluoro-N'-(methyliminomethyl)ethanimidamide is C=CN/C(=N\C=N\C)C(F)(F)F.
What is the InChIKey of N-ethenyl-2,2,2-trifluoro-N'-(methyliminomethyl)ethanimidamide?
The InChIKey is MCVKAMDQOGIAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-3-11-5(6(7,8)9)12-4-10-2/h3-4H,1H2,2H3,(H,10,11,12).
What are the key properties of N-ethenyl-2,2,2-trifluoro-N'-(methyliminomethyl)ethanimidamide?
N-ethenyl-2,2,2-trifluoro-N'-(methyliminomethyl)ethanimidamide has a molecular weight of 179.15 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2,2,2-trifluoro-N'-(methyliminomethyl)ethanimidamide is sourced from PubChem (CID 134191904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).