N-(3-aminoprop-2-ynyl)-2,2,2-trifluoroacetamide

C5H5F3N2O — CID 14768535

IUPACN-(3-aminoprop-2-ynyl)-2,2,2-trifluoroacetamide
SMILESNC#CCNC(=O)C(F)(F)F
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)4(11)10-3-1-2-9/h3,9H2,(H,10,11)
InChIKeyHKLORUINGYMYQN-UHFFFAOYSA-N
MW166.10 g/mol
LogP-0.42
Rot. Bonds1

About N-(3-aminoprop-2-ynyl)-2,2,2-trifluoroacetamide

N-(3-aminoprop-2-ynyl)-2,2,2-trifluoroacetamide (PubChem CID 14768535) has the molecular formula C5H5F3N2O and a molecular weight of 166.10 g/mol. Its IUPAC name is N-(3-aminoprop-2-ynyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3-aminoprop-2-ynyl)-2,2,2-trifluoroacetamide
PubChem CID14768535
Molecular FormulaC5H5F3N2O
Molecular Weight166.10 g/mol
Exact Mass166.04
IUPAC NameN-(3-aminoprop-2-ynyl)-2,2,2-trifluoroacetamide
SMILESNC#CCNC(=O)C(F)(F)F
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)4(11)10-3-1-2-9/h3,9H2,(H,10,11)
InChIKeyHKLORUINGYMYQN-UHFFFAOYSA-N
XLogP-0.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(3-aminoprop-2-ynyl)-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-aminoprop-2-ynyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3-aminoprop-2-ynyl)-2,2,2-trifluoroacetamide (CID 14768535) is N-(3-aminoprop-2-ynyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3-aminoprop-2-ynyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3-aminoprop-2-ynyl)-2,2,2-trifluoroacetamide is NC#CCNC(=O)C(F)(F)F.
What is the InChIKey of N-(3-aminoprop-2-ynyl)-2,2,2-trifluoroacetamide?
The InChIKey is HKLORUINGYMYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O/c6-5(7,8)4(11)10-3-1-2-9/h3,9H2,(H,10,11).
What are the key properties of N-(3-aminoprop-2-ynyl)-2,2,2-trifluoroacetamide?
N-(3-aminoprop-2-ynyl)-2,2,2-trifluoroacetamide has a molecular weight of 166.10 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminoprop-2-ynyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 14768535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).