N-(2,5-dicyanophenyl)-2,2,2-trifluoroacetamide

C10H4F3N3O — CID 142005555

IUPACN-(2,5-dicyanophenyl)-2,2,2-trifluoroacetamide
SMILESN#Cc1ccc(C#N)c(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C10H4F3N3O/c11-10(12,13)9(17)16-8-3-6(4-14)1-2-7(8)5-15/h1-3H,(H,16,17)
InChIKeyGHXPTTIVJVWYFK-UHFFFAOYSA-N
MW239.16 g/mol
LogP1.93
Rot. Bonds1

About N-(2,5-dicyanophenyl)-2,2,2-trifluoroacetamide

N-(2,5-dicyanophenyl)-2,2,2-trifluoroacetamide (PubChem CID 142005555) has the molecular formula C10H4F3N3O and a molecular weight of 239.16 g/mol. Its IUPAC name is N-(2,5-dicyanophenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2,5-dicyanophenyl)-2,2,2-trifluoroacetamide
PubChem CID142005555
Molecular FormulaC10H4F3N3O
Molecular Weight239.16 g/mol
Exact Mass239.03
IUPAC NameN-(2,5-dicyanophenyl)-2,2,2-trifluoroacetamide
SMILESN#Cc1ccc(C#N)c(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C10H4F3N3O/c11-10(12,13)9(17)16-8-3-6(4-14)1-2-7(8)5-15/h1-3H,(H,16,17)
InChIKeyGHXPTTIVJVWYFK-UHFFFAOYSA-N
XLogP1.93
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dicyanophenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2,5-dicyanophenyl)-2,2,2-trifluoroacetamide (CID 142005555) is N-(2,5-dicyanophenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2,5-dicyanophenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2,5-dicyanophenyl)-2,2,2-trifluoroacetamide is N#Cc1ccc(C#N)c(NC(=O)C(F)(F)F)c1.
What is the InChIKey of N-(2,5-dicyanophenyl)-2,2,2-trifluoroacetamide?
The InChIKey is GHXPTTIVJVWYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F3N3O/c11-10(12,13)9(17)16-8-3-6(4-14)1-2-7(8)5-15/h1-3H,(H,16,17).
What are the key properties of N-(2,5-dicyanophenyl)-2,2,2-trifluoroacetamide?
N-(2,5-dicyanophenyl)-2,2,2-trifluoroacetamide has a molecular weight of 239.16 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dicyanophenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 142005555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).