N-(aminomethylidene)-N'-ethenyl-2,2,2-trifluoroethanimidamide

C5H6F3N3 — CID 139563781

IUPACN-(aminomethylidene)-N'-ethenyl-2,2,2-trifluoroethanimidamide
SMILESC=C/N=C(\N=C\N)C(F)(F)F
InChIInChI=1S/C5H6F3N3/c1-2-10-4(11-3-9)5(6,7)8/h2-3H,1H2,(H2,9,10,11)
InChIKeyODPQELXGMYGYJR-UHFFFAOYSA-N
MW165.12 g/mol
LogP1.08
Rot. Bonds1

About N-(aminomethylidene)-N'-ethenyl-2,2,2-trifluoroethanimidamide

N-(aminomethylidene)-N'-ethenyl-2,2,2-trifluoroethanimidamide (PubChem CID 139563781) has the molecular formula C5H6F3N3 and a molecular weight of 165.12 g/mol. Its IUPAC name is N-(aminomethylidene)-N'-ethenyl-2,2,2-trifluoroethanimidamide.

Molecular Properties

Compound NameN-(aminomethylidene)-N'-ethenyl-2,2,2-trifluoroethanimidamide
PubChem CID139563781
Molecular FormulaC5H6F3N3
Molecular Weight165.12 g/mol
Exact Mass165.05
IUPAC NameN-(aminomethylidene)-N'-ethenyl-2,2,2-trifluoroethanimidamide
SMILESC=C/N=C(\N=C\N)C(F)(F)F
InChIInChI=1S/C5H6F3N3/c1-2-10-4(11-3-9)5(6,7)8/h2-3H,1H2,(H2,9,10,11)
InChIKeyODPQELXGMYGYJR-UHFFFAOYSA-N
XLogP1.08
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.12
LogP ≤ 51.08
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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Related Compounds

N-ethenyl-2,2,2-trifluoro-N'-methylethanimidamide
CID 123521778
N-ethenyl-2,2,2-trifluoro-N'-(methyliminomethyl)ethanimidamide
CID 134191904
N'-ethenyl-2,2,2-trifluoroethanimidamide
CID 134560294
2-amino-N'-ethenyl-N-(2,2,2-trifluoroethylidene)ethanimidamide
CID 144145257
N'-ethenyl-2,2,2-trifluoro-N-methylideneethanimidamide
CID 163299053
N-ethenyl-2,2,2-trifluoro-N'-methanimidoylethanimidamide
CID 176527248

Frequently Asked Questions

What is the IUPAC name of N-(aminomethylidene)-N'-ethenyl-2,2,2-trifluoroethanimidamide?
The IUPAC name of N-(aminomethylidene)-N'-ethenyl-2,2,2-trifluoroethanimidamide (CID 139563781) is N-(aminomethylidene)-N'-ethenyl-2,2,2-trifluoroethanimidamide.
What is the SMILES notation for N-(aminomethylidene)-N'-ethenyl-2,2,2-trifluoroethanimidamide?
The canonical SMILES for N-(aminomethylidene)-N'-ethenyl-2,2,2-trifluoroethanimidamide is C=C/N=C(\N=C\N)C(F)(F)F.
What is the InChIKey of N-(aminomethylidene)-N'-ethenyl-2,2,2-trifluoroethanimidamide?
The InChIKey is ODPQELXGMYGYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3/c1-2-10-4(11-3-9)5(6,7)8/h2-3H,1H2,(H2,9,10,11).
What are the key properties of N-(aminomethylidene)-N'-ethenyl-2,2,2-trifluoroethanimidamide?
N-(aminomethylidene)-N'-ethenyl-2,2,2-trifluoroethanimidamide has a molecular weight of 165.12 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethylidene)-N'-ethenyl-2,2,2-trifluoroethanimidamide is sourced from PubChem (CID 139563781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).