N'-ethenyl-2,2,2-trifluoroethanimidamide

C4H5F3N2 — CID 134560294

IUPACN'-ethenyl-2,2,2-trifluoroethanimidamide
SMILESC=C/N=C(\N)C(F)(F)F
InChIInChI=1S/C4H5F3N2/c1-2-9-3(8)4(5,6)7/h2H,1H2,(H2,8,9)
InChIKeyWRXNVLPKTCNYBU-UHFFFAOYSA-N
MW138.09 g/mol
LogP1.05
Rot. Bonds1

About N'-ethenyl-2,2,2-trifluoroethanimidamide

N'-ethenyl-2,2,2-trifluoroethanimidamide (PubChem CID 134560294) has the molecular formula C4H5F3N2 and a molecular weight of 138.09 g/mol. Its IUPAC name is N'-ethenyl-2,2,2-trifluoroethanimidamide.

Molecular Properties

Compound NameN'-ethenyl-2,2,2-trifluoroethanimidamide
PubChem CID134560294
Molecular FormulaC4H5F3N2
Molecular Weight138.09 g/mol
Exact Mass138.04
IUPAC NameN'-ethenyl-2,2,2-trifluoroethanimidamide
SMILESC=C/N=C(\N)C(F)(F)F
InChIInChI=1S/C4H5F3N2/c1-2-9-3(8)4(5,6)7/h2H,1H2,(H2,8,9)
InChIKeyWRXNVLPKTCNYBU-UHFFFAOYSA-N
XLogP1.05
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.09
LogP ≤ 51.05
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-trifluoroethanimidamide?
The IUPAC name of N'-ethenyl-2,2,2-trifluoroethanimidamide (CID 134560294) is N'-ethenyl-2,2,2-trifluoroethanimidamide.
What is the SMILES notation for N'-ethenyl-2,2,2-trifluoroethanimidamide?
The canonical SMILES for N'-ethenyl-2,2,2-trifluoroethanimidamide is C=C/N=C(\N)C(F)(F)F.
What is the InChIKey of N'-ethenyl-2,2,2-trifluoroethanimidamide?
The InChIKey is WRXNVLPKTCNYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3N2/c1-2-9-3(8)4(5,6)7/h2H,1H2,(H2,8,9).
What are the key properties of N'-ethenyl-2,2,2-trifluoroethanimidamide?
N'-ethenyl-2,2,2-trifluoroethanimidamide has a molecular weight of 138.09 g/mol, XLogP of 1.05, 1 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-trifluoroethanimidamide is sourced from PubChem (CID 134560294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).