2,2,2-tris(4-fluorophenyl)ethanimidamide

C20H15F3N2 — CID 68675497

IUPAC2,2,2-tris(4-fluorophenyl)ethanimidamide
SMILES[H]/N=C(\N)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H15F3N2/c21-16-7-1-13(2-8-16)20(19(24)25,14-3-9-17(22)10-4-14)15-5-11-18(23)12-6-15/h1-12H,(H3,24,25)
InChIKeyDPSDNRXRPBZTGJ-UHFFFAOYSA-N
MW340.35 g/mol
LogP4.37
Rot. Bonds4

About 2,2,2-tris(4-fluorophenyl)ethanimidamide

2,2,2-tris(4-fluorophenyl)ethanimidamide (PubChem CID 68675497) has the molecular formula C20H15F3N2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 2,2,2-tris(4-fluorophenyl)ethanimidamide.

Molecular Properties

Compound Name2,2,2-tris(4-fluorophenyl)ethanimidamide
PubChem CID68675497
Molecular FormulaC20H15F3N2
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name2,2,2-tris(4-fluorophenyl)ethanimidamide
SMILES[H]/N=C(\N)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H15F3N2/c21-16-7-1-13(2-8-16)20(19(24)25,14-3-9-17(22)10-4-14)15-5-11-18(23)12-6-15/h1-12H,(H3,24,25)
InChIKeyDPSDNRXRPBZTGJ-UHFFFAOYSA-N
XLogP4.37
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 54.37
H-Bond Donors ≤ 52
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': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-tris(4-fluorophenyl)ethanimidamide?
The IUPAC name of 2,2,2-tris(4-fluorophenyl)ethanimidamide (CID 68675497) is 2,2,2-tris(4-fluorophenyl)ethanimidamide.
What is the SMILES notation for 2,2,2-tris(4-fluorophenyl)ethanimidamide?
The canonical SMILES for 2,2,2-tris(4-fluorophenyl)ethanimidamide is [H]/N=C(\N)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2,2,2-tris(4-fluorophenyl)ethanimidamide?
The InChIKey is DPSDNRXRPBZTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2/c21-16-7-1-13(2-8-16)20(19(24)25,14-3-9-17(22)10-4-14)15-5-11-18(23)12-6-15/h1-12H,(H3,24,25).
What are the key properties of 2,2,2-tris(4-fluorophenyl)ethanimidamide?
2,2,2-tris(4-fluorophenyl)ethanimidamide has a molecular weight of 340.35 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-tris(4-fluorophenyl)ethanimidamide is sourced from PubChem (CID 68675497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).