N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide

C10H11F3N2O — CID 14298719

IUPACN-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide
SMILESNc1ccc(CCNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)9(16)15-6-5-7-1-3-8(14)4-2-7/h1-4H,5-6,14H2,(H,15,16)
InChIKeyXCSBGRSPUZTPHK-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.49
Rot. Bonds3

About N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide

N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 14298719) has the molecular formula C10H11F3N2O and a molecular weight of 232.21 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide
PubChem CID14298719
Molecular FormulaC10H11F3N2O
Molecular Weight232.21 g/mol
Exact Mass232.08
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide
SMILESNc1ccc(CCNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)9(16)15-6-5-7-1-3-8(14)4-2-7/h1-4H,5-6,14H2,(H,15,16)
InChIKeyXCSBGRSPUZTPHK-UHFFFAOYSA-N
XLogP1.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide (CID 14298719) is N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide is Nc1ccc(CCNC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is XCSBGRSPUZTPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c11-10(12,13)9(16)15-6-5-7-1-3-8(14)4-2-7/h1-4H,5-6,14H2,(H,15,16).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide?
N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 232.21 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 14298719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).