N'-ethenyl-2,3,4-trifluorobenzenecarboximidamide

C9H7F3N2 — CID 59058990

IUPACN'-ethenyl-2,3,4-trifluorobenzenecarboximidamide
SMILESC=C/N=C(\N)c1ccc(F)c(F)c1F
InChIInChI=1S/C9H7F3N2/c1-2-14-9(13)5-3-4-6(10)8(12)7(5)11/h2-4H,1H2,(H2,13,14)
InChIKeyZQDBDVITJVLYFJ-UHFFFAOYSA-N
MW200.16 g/mol
LogP1.95
Rot. Bonds2

About N'-ethenyl-2,3,4-trifluorobenzenecarboximidamide

N'-ethenyl-2,3,4-trifluorobenzenecarboximidamide (PubChem CID 59058990) has the molecular formula C9H7F3N2 and a molecular weight of 200.16 g/mol. Its IUPAC name is N'-ethenyl-2,3,4-trifluorobenzenecarboximidamide.

Molecular Properties

Compound NameN'-ethenyl-2,3,4-trifluorobenzenecarboximidamide
PubChem CID59058990
Molecular FormulaC9H7F3N2
Molecular Weight200.16 g/mol
Exact Mass200.06
IUPAC NameN'-ethenyl-2,3,4-trifluorobenzenecarboximidamide
SMILESC=C/N=C(\N)c1ccc(F)c(F)c1F
InChIInChI=1S/C9H7F3N2/c1-2-14-9(13)5-3-4-6(10)8(12)7(5)11/h2-4H,1H2,(H2,13,14)
InChIKeyZQDBDVITJVLYFJ-UHFFFAOYSA-N
XLogP1.95
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-ethenyl-2,3,4-trifluorobenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-2,3,4-trifluorobenzenecarboximidamide?
The IUPAC name of N'-ethenyl-2,3,4-trifluorobenzenecarboximidamide (CID 59058990) is N'-ethenyl-2,3,4-trifluorobenzenecarboximidamide.
What is the SMILES notation for N'-ethenyl-2,3,4-trifluorobenzenecarboximidamide?
The canonical SMILES for N'-ethenyl-2,3,4-trifluorobenzenecarboximidamide is C=C/N=C(\N)c1ccc(F)c(F)c1F.
What is the InChIKey of N'-ethenyl-2,3,4-trifluorobenzenecarboximidamide?
The InChIKey is ZQDBDVITJVLYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2/c1-2-14-9(13)5-3-4-6(10)8(12)7(5)11/h2-4H,1H2,(H2,13,14).
What are the key properties of N'-ethenyl-2,3,4-trifluorobenzenecarboximidamide?
N'-ethenyl-2,3,4-trifluorobenzenecarboximidamide has a molecular weight of 200.16 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-2,3,4-trifluorobenzenecarboximidamide is sourced from PubChem (CID 59058990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).