N-(1-acetylazetidin-3-yl)-3,3,3-trifluoropropanamide

C8H11F3N2O2 — CID 126789274

IUPACN-(1-acetylazetidin-3-yl)-3,3,3-trifluoropropanamide
SMILESCC(=O)N1CC(NC(=O)CC(F)(F)F)C1
InChIInChI=1S/C8H11F3N2O2/c1-5(14)13-3-6(4-13)12-7(15)2-8(9,10)11/h6H,2-4H2,1H3,(H,12,15)
InChIKeyNNSUIBJFEASRQJ-UHFFFAOYSA-N
MW224.18 g/mol
LogP0.29
Rot. Bonds2

About N-(1-acetylazetidin-3-yl)-3,3,3-trifluoropropanamide

N-(1-acetylazetidin-3-yl)-3,3,3-trifluoropropanamide (PubChem CID 126789274) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is N-(1-acetylazetidin-3-yl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(1-acetylazetidin-3-yl)-3,3,3-trifluoropropanamide
PubChem CID126789274
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC NameN-(1-acetylazetidin-3-yl)-3,3,3-trifluoropropanamide
SMILESCC(=O)N1CC(NC(=O)CC(F)(F)F)C1
InChIInChI=1S/C8H11F3N2O2/c1-5(14)13-3-6(4-13)12-7(15)2-8(9,10)11/h6H,2-4H2,1H3,(H,12,15)
InChIKeyNNSUIBJFEASRQJ-UHFFFAOYSA-N
XLogP0.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-acetylazetidin-3-yl)-3,3,3-trifluoropropanamide 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

3,3,3-trifluoro-N-[4-(methylamino)cyclohexyl]propanamide
CID 43653225
N-(1-acetylazetidin-3-yl)-3-methylsulfonylpropanamide
CID 176706707
N-[4-(ethylamino)cyclohexyl]-3,3,3-trifluoropropanamide
CID 43653338
3,3,3-trifluoro-N-(5-methylpiperidin-3-yl)propanamide
CID 107585044
N-(1-acetylazetidin-3-yl)prop-2-enamide
CID 131086103
2-[1-acetyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
CID 83992292
N-(1-acetylpyrrolidin-3-yl)pentanamide
CID 110871326
ethyl N-[1-acetyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
CID 112543848
N-[3-(3,3-dimethylbutanoylamino)cyclobutyl]-3,3-dimethylbutanamide
CID 159337962
3-(3,3,3-trifluoropropanoylamino)cyclohexane-1-carboxamide
CID 136527089
1-[3,5-bis(trifluoromethyl)piperidin-1-yl]ethanone
CID 145287462
tert-butyl N-[3-(3,3,3-trifluoropropanoylamino)cyclohexyl]carbamate
CID 86804554

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylazetidin-3-yl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(1-acetylazetidin-3-yl)-3,3,3-trifluoropropanamide (CID 126789274) is N-(1-acetylazetidin-3-yl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(1-acetylazetidin-3-yl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(1-acetylazetidin-3-yl)-3,3,3-trifluoropropanamide is CC(=O)N1CC(NC(=O)CC(F)(F)F)C1.
What is the InChIKey of N-(1-acetylazetidin-3-yl)-3,3,3-trifluoropropanamide?
The InChIKey is NNSUIBJFEASRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c1-5(14)13-3-6(4-13)12-7(15)2-8(9,10)11/h6H,2-4H2,1H3,(H,12,15).
What are the key properties of N-(1-acetylazetidin-3-yl)-3,3,3-trifluoropropanamide?
N-(1-acetylazetidin-3-yl)-3,3,3-trifluoropropanamide has a molecular weight of 224.18 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylazetidin-3-yl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 126789274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).