N'-phenyl-4-(trifluoromethyl)benzenecarboximidamide

C14H11F3N2 — CID 72712936

IUPACN'-phenyl-4-(trifluoromethyl)benzenecarboximidamide
SMILESN/C(=N\c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11F3N2/c15-14(16,17)11-8-6-10(7-9-11)13(18)19-12-4-2-1-3-5-12/h1-9H,(H2,18,19)
InChIKeyCAUCEUHKRTUHSB-UHFFFAOYSA-N
MW264.25 g/mol
LogP3.74
Rot. Bonds2

About N'-phenyl-4-(trifluoromethyl)benzenecarboximidamide

N'-phenyl-4-(trifluoromethyl)benzenecarboximidamide (PubChem CID 72712936) has the molecular formula C14H11F3N2 and a molecular weight of 264.25 g/mol. Its IUPAC name is N'-phenyl-4-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-phenyl-4-(trifluoromethyl)benzenecarboximidamide
PubChem CID72712936
Molecular FormulaC14H11F3N2
Molecular Weight264.25 g/mol
Exact Mass264.09
IUPAC NameN'-phenyl-4-(trifluoromethyl)benzenecarboximidamide
SMILESN/C(=N\c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11F3N2/c15-14(16,17)11-8-6-10(7-9-11)13(18)19-12-4-2-1-3-5-12/h1-9H,(H2,18,19)
InChIKeyCAUCEUHKRTUHSB-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
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'-phenyl-4-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N'-phenyl-4-(trifluoromethyl)benzenecarboximidamide (CID 72712936) is N'-phenyl-4-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N'-phenyl-4-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N'-phenyl-4-(trifluoromethyl)benzenecarboximidamide is N/C(=N\c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-phenyl-4-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is CAUCEUHKRTUHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2/c15-14(16,17)11-8-6-10(7-9-11)13(18)19-12-4-2-1-3-5-12/h1-9H,(H2,18,19).
What are the key properties of N'-phenyl-4-(trifluoromethyl)benzenecarboximidamide?
N'-phenyl-4-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 264.25 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenyl-4-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 72712936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).