N-amino-2,4,6-trifluoro-N'-phenylbenzenecarboximidamide

C13H10F3N3 — CID 65100296

IUPACN-amino-2,4,6-trifluoro-N'-phenylbenzenecarboximidamide
SMILESNN/C(=N\c1ccccc1)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H10F3N3/c14-8-6-10(15)12(11(16)7-8)13(19-17)18-9-4-2-1-3-5-9/h1-7H,17H2,(H,18,19)
InChIKeyWKVHLKZZSYYBPT-UHFFFAOYSA-N
MW265.24 g/mol
LogP2.65
Rot. Bonds2

About N-amino-2,4,6-trifluoro-N'-phenylbenzenecarboximidamide

N-amino-2,4,6-trifluoro-N'-phenylbenzenecarboximidamide (PubChem CID 65100296) has the molecular formula C13H10F3N3 and a molecular weight of 265.24 g/mol. Its IUPAC name is N-amino-2,4,6-trifluoro-N'-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-2,4,6-trifluoro-N'-phenylbenzenecarboximidamide
PubChem CID65100296
Molecular FormulaC13H10F3N3
Molecular Weight265.24 g/mol
Exact Mass265.08
IUPAC NameN-amino-2,4,6-trifluoro-N'-phenylbenzenecarboximidamide
SMILESNN/C(=N\c1ccccc1)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H10F3N3/c14-8-6-10(15)12(11(16)7-8)13(19-17)18-9-4-2-1-3-5-9/h1-7H,17H2,(H,18,19)
InChIKeyWKVHLKZZSYYBPT-UHFFFAOYSA-N
XLogP2.65
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-2,4,6-trifluoro-N'-phenylbenzenecarboximidamide?
The IUPAC name of N-amino-2,4,6-trifluoro-N'-phenylbenzenecarboximidamide (CID 65100296) is N-amino-2,4,6-trifluoro-N'-phenylbenzenecarboximidamide.
What is the SMILES notation for N-amino-2,4,6-trifluoro-N'-phenylbenzenecarboximidamide?
The canonical SMILES for N-amino-2,4,6-trifluoro-N'-phenylbenzenecarboximidamide is NN/C(=N\c1ccccc1)c1c(F)cc(F)cc1F.
What is the InChIKey of N-amino-2,4,6-trifluoro-N'-phenylbenzenecarboximidamide?
The InChIKey is WKVHLKZZSYYBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3/c14-8-6-10(15)12(11(16)7-8)13(19-17)18-9-4-2-1-3-5-9/h1-7H,17H2,(H,18,19).
What are the key properties of N-amino-2,4,6-trifluoro-N'-phenylbenzenecarboximidamide?
N-amino-2,4,6-trifluoro-N'-phenylbenzenecarboximidamide has a molecular weight of 265.24 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2,4,6-trifluoro-N'-phenylbenzenecarboximidamide is sourced from PubChem (CID 65100296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).