N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide

C11H12F3NO2 — CID 60713140

IUPACN-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO2/c1-8(16)15-6-9-2-4-10(5-3-9)17-7-11(12,13)14/h2-5H,6-7H2,1H3,(H,15,16)
InChIKeyZGKNNYPRDCJUGK-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.26
Rot. Bonds4

About N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide

N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide (PubChem CID 60713140) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
PubChem CID60713140
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC NameN-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO2/c1-8(16)15-6-9-2-4-10(5-3-9)17-7-11(12,13)14/h2-5H,6-7H2,1H3,(H,15,16)
InChIKeyZGKNNYPRDCJUGK-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119701626
2-(ethylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60718885
2-bromo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 55257440
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119277633
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119277641
2-(4-fluorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 43042680
2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 30293543
3-acetamido-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 86991144
1-[2-(2,2,2-trifluoroethoxy)ethyl]-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 78878567
3,5-difluoro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30293255
(Z)-2-acetamido-3-phenyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]prop-2-enamide
CID 34501494
(2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
CID 119701662

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The IUPAC name of N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide (CID 60713140) is N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide is CC(=O)NCc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The InChIKey is ZGKNNYPRDCJUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-8(16)15-6-9-2-4-10(5-3-9)17-7-11(12,13)14/h2-5H,6-7H2,1H3,(H,15,16).
What are the key properties of N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide has a molecular weight of 247.22 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 60713140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).