N'-(3,4,5-trifluorophenyl)benzenecarboximidamide

C13H9F3N2 — CID 55160149

IUPACN'-(3,4,5-trifluorophenyl)benzenecarboximidamide
SMILESN/C(=N\c1cc(F)c(F)c(F)c1)c1ccccc1
InChIInChI=1S/C13H9F3N2/c14-10-6-9(7-11(15)12(10)16)18-13(17)8-4-2-1-3-5-8/h1-7H,(H2,17,18)
InChIKeyWKFHFBIYKVDRDT-UHFFFAOYSA-N
MW250.22 g/mol
LogP3.14
Rot. Bonds2

About N'-(3,4,5-trifluorophenyl)benzenecarboximidamide

N'-(3,4,5-trifluorophenyl)benzenecarboximidamide (PubChem CID 55160149) has the molecular formula C13H9F3N2 and a molecular weight of 250.22 g/mol. Its IUPAC name is N'-(3,4,5-trifluorophenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(3,4,5-trifluorophenyl)benzenecarboximidamide
PubChem CID55160149
Molecular FormulaC13H9F3N2
Molecular Weight250.22 g/mol
Exact Mass250.07
IUPAC NameN'-(3,4,5-trifluorophenyl)benzenecarboximidamide
SMILESN/C(=N\c1cc(F)c(F)c(F)c1)c1ccccc1
InChIInChI=1S/C13H9F3N2/c14-10-6-9(7-11(15)12(10)16)18-13(17)8-4-2-1-3-5-8/h1-7H,(H2,17,18)
InChIKeyWKFHFBIYKVDRDT-UHFFFAOYSA-N
XLogP3.14
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 53.14
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3,4,5-trifluorophenyl)benzenecarboximidamide?
The IUPAC name of N'-(3,4,5-trifluorophenyl)benzenecarboximidamide (CID 55160149) is N'-(3,4,5-trifluorophenyl)benzenecarboximidamide.
What is the SMILES notation for N'-(3,4,5-trifluorophenyl)benzenecarboximidamide?
The canonical SMILES for N'-(3,4,5-trifluorophenyl)benzenecarboximidamide is N/C(=N\c1cc(F)c(F)c(F)c1)c1ccccc1.
What is the InChIKey of N'-(3,4,5-trifluorophenyl)benzenecarboximidamide?
The InChIKey is WKFHFBIYKVDRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2/c14-10-6-9(7-11(15)12(10)16)18-13(17)8-4-2-1-3-5-8/h1-7H,(H2,17,18).
What are the key properties of N'-(3,4,5-trifluorophenyl)benzenecarboximidamide?
N'-(3,4,5-trifluorophenyl)benzenecarboximidamide has a molecular weight of 250.22 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4,5-trifluorophenyl)benzenecarboximidamide is sourced from PubChem (CID 55160149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).