N'-ethenyl-2,2,2-trifluoro-N-methylideneethanimidamide

C5H5F3N2 — CID 163299053

IUPACN'-ethenyl-2,2,2-trifluoro-N-methylideneethanimidamide
SMILESC=C/N=C(\N=C)C(F)(F)F
InChIInChI=1S/C5H5F3N2/c1-3-10-4(9-2)5(6,7)8/h3H,1-2H2/b10-4-
InChIKeyXJKCGGLTOQRQAD-WMZJFQQLSA-N
MW150.10 g/mol
LogP1.79
Rot. Bonds1

About N'-ethenyl-2,2,2-trifluoro-N-methylideneethanimidamide

N'-ethenyl-2,2,2-trifluoro-N-methylideneethanimidamide (PubChem CID 163299053) has the molecular formula C5H5F3N2 and a molecular weight of 150.10 g/mol. Its IUPAC name is N'-ethenyl-2,2,2-trifluoro-N-methylideneethanimidamide.

Molecular Properties

Compound NameN'-ethenyl-2,2,2-trifluoro-N-methylideneethanimidamide
PubChem CID163299053
Molecular FormulaC5H5F3N2
Molecular Weight150.10 g/mol
Exact Mass150.04
IUPAC NameN'-ethenyl-2,2,2-trifluoro-N-methylideneethanimidamide
SMILESC=C/N=C(\N=C)C(F)(F)F
InChIInChI=1S/C5H5F3N2/c1-3-10-4(9-2)5(6,7)8/h3H,1-2H2/b10-4-
InChIKeyXJKCGGLTOQRQAD-WMZJFQQLSA-N
XLogP1.79
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.10
LogP ≤ 51.79
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-2,2,2-trifluoro-N-methylideneethanimidamide?
The IUPAC name of N'-ethenyl-2,2,2-trifluoro-N-methylideneethanimidamide (CID 163299053) is N'-ethenyl-2,2,2-trifluoro-N-methylideneethanimidamide.
What is the SMILES notation for N'-ethenyl-2,2,2-trifluoro-N-methylideneethanimidamide?
The canonical SMILES for N'-ethenyl-2,2,2-trifluoro-N-methylideneethanimidamide is C=C/N=C(\N=C)C(F)(F)F.
What is the InChIKey of N'-ethenyl-2,2,2-trifluoro-N-methylideneethanimidamide?
The InChIKey is XJKCGGLTOQRQAD-WMZJFQQLSA-N. The full InChI is InChI=1S/C5H5F3N2/c1-3-10-4(9-2)5(6,7)8/h3H,1-2H2/b10-4-.
What are the key properties of N'-ethenyl-2,2,2-trifluoro-N-methylideneethanimidamide?
N'-ethenyl-2,2,2-trifluoro-N-methylideneethanimidamide has a molecular weight of 150.10 g/mol, XLogP of 1.79, 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-methylideneethanimidamide is sourced from PubChem (CID 163299053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).