2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide

C8H11F3N2O — CID 126769313

IUPAC2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESNC(=O)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C8H11F3N2O/c9-8(10,11)6-1-3-13(4-2-6)5-7(12)14/h1H,2-5H2,(H2,12,14)
InChIKeySSRSLKGJWLDYDH-UHFFFAOYSA-N
MW208.18 g/mol
LogP0.67
Rot. Bonds2

About 2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide

2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide (PubChem CID 126769313) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
PubChem CID126769313
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESNC(=O)CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C8H11F3N2O/c9-8(10,11)6-1-3-13(4-2-6)5-7(12)14/h1H,2-5H2,(H2,12,14)
InChIKeySSRSLKGJWLDYDH-UHFFFAOYSA-N
XLogP0.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide 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 2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The IUPAC name of 2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide (CID 126769313) is 2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The canonical SMILES for 2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide is NC(=O)CN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The InChIKey is SSRSLKGJWLDYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c9-8(10,11)6-1-3-13(4-2-6)5-7(12)14/h1H,2-5H2,(H2,12,14).
What are the key properties of 2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide has a molecular weight of 208.18 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide is sourced from PubChem (CID 126769313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).