2-phenyl-N'-(trifluoromethyl)benzenecarboximidamide

C14H11F3N2 — CID 118916827

IUPAC2-phenyl-N'-(trifluoromethyl)benzenecarboximidamide
SMILESNC(=NC(F)(F)F)c1ccccc1-c1ccccc1
InChIInChI=1S/C14H11F3N2/c15-14(16,17)19-13(18)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H2,18,19)
InChIKeyGODDYQFTLQZUHF-UHFFFAOYSA-N
MW264.25 g/mol
LogP3.58
Rot. Bonds2

About 2-phenyl-N'-(trifluoromethyl)benzenecarboximidamide

2-phenyl-N'-(trifluoromethyl)benzenecarboximidamide (PubChem CID 118916827) has the molecular formula C14H11F3N2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-phenyl-N'-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-phenyl-N'-(trifluoromethyl)benzenecarboximidamide
PubChem CID118916827
Molecular FormulaC14H11F3N2
Molecular Weight264.25 g/mol
Exact Mass264.09
IUPAC Name2-phenyl-N'-(trifluoromethyl)benzenecarboximidamide
SMILESNC(=NC(F)(F)F)c1ccccc1-c1ccccc1
InChIInChI=1S/C14H11F3N2/c15-14(16,17)19-13(18)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H2,18,19)
InChIKeyGODDYQFTLQZUHF-UHFFFAOYSA-N
XLogP3.58
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 53.58
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N'-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 2-phenyl-N'-(trifluoromethyl)benzenecarboximidamide (CID 118916827) is 2-phenyl-N'-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 2-phenyl-N'-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 2-phenyl-N'-(trifluoromethyl)benzenecarboximidamide is NC(=NC(F)(F)F)c1ccccc1-c1ccccc1.
What is the InChIKey of 2-phenyl-N'-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is GODDYQFTLQZUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2/c15-14(16,17)19-13(18)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H2,18,19).
What are the key properties of 2-phenyl-N'-(trifluoromethyl)benzenecarboximidamide?
2-phenyl-N'-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 264.25 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N'-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 118916827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).