N'-[2-(trifluoromethyl)phenyl]benzenecarboximidamide

C14H11F3N2 — CID 15738789

IUPACN'-[2-(trifluoromethyl)phenyl]benzenecarboximidamide
SMILESN/C(=N\c1ccccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H11F3N2/c15-14(16,17)11-8-4-5-9-12(11)19-13(18)10-6-2-1-3-7-10/h1-9H,(H2,18,19)
InChIKeyKRYLVENIVPIGAT-UHFFFAOYSA-N
MW264.25 g/mol
LogP3.74
Rot. Bonds2

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

N'-[2-(trifluoromethyl)phenyl]benzenecarboximidamide (PubChem CID 15738789) has the molecular formula C14H11F3N2 and a molecular weight of 264.25 g/mol. Its IUPAC name is N'-[2-(trifluoromethyl)phenyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[2-(trifluoromethyl)phenyl]benzenecarboximidamide
PubChem CID15738789
Molecular FormulaC14H11F3N2
Molecular Weight264.25 g/mol
Exact Mass264.09
IUPAC NameN'-[2-(trifluoromethyl)phenyl]benzenecarboximidamide
SMILESN/C(=N\c1ccccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H11F3N2/c15-14(16,17)11-8-4-5-9-12(11)19-13(18)10-6-2-1-3-7-10/h1-9H,(H2,18,19)
InChIKeyKRYLVENIVPIGAT-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'-[2-(trifluoromethyl)phenyl]benzenecarboximidamide?
The IUPAC name of N'-[2-(trifluoromethyl)phenyl]benzenecarboximidamide (CID 15738789) is N'-[2-(trifluoromethyl)phenyl]benzenecarboximidamide.
What is the SMILES notation for N'-[2-(trifluoromethyl)phenyl]benzenecarboximidamide?
The canonical SMILES for N'-[2-(trifluoromethyl)phenyl]benzenecarboximidamide is N/C(=N\c1ccccc1C(F)(F)F)c1ccccc1.
What is the InChIKey of N'-[2-(trifluoromethyl)phenyl]benzenecarboximidamide?
The InChIKey is KRYLVENIVPIGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2/c15-14(16,17)11-8-4-5-9-12(11)19-13(18)10-6-2-1-3-7-10/h1-9H,(H2,18,19).
What are the key properties of N'-[2-(trifluoromethyl)phenyl]benzenecarboximidamide?
N'-[2-(trifluoromethyl)phenyl]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'-[2-(trifluoromethyl)phenyl]benzenecarboximidamide is sourced from PubChem (CID 15738789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).