2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutyl)propanamide

C10H15F3N2O — CID 116678663

IUPAC2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutyl)propanamide
SMILESCC(C(=O)NCCCC(F)(F)F)=C1CNC1
InChIInChI=1S/C10H15F3N2O/c1-7(8-5-14-6-8)9(16)15-4-2-3-10(11,12)13/h14H,2-6H2,1H3,(H,15,16)
InChIKeyVCSYUQZBAALUJR-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.36
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutyl)propanamide

2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutyl)propanamide (PubChem CID 116678663) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutyl)propanamide
PubChem CID116678663
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutyl)propanamide
SMILESCC(C(=O)NCCCC(F)(F)F)=C1CNC1
InChIInChI=1S/C10H15F3N2O/c1-7(8-5-14-6-8)9(16)15-4-2-3-10(11,12)13/h14H,2-6H2,1H3,(H,15,16)
InChIKeyVCSYUQZBAALUJR-UHFFFAOYSA-N
XLogP1.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutyl)propanamide 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-(azetidin-3-ylidene)-N-(3-hydroxybutyl)propanamide
CID 116678145
2-(azetidin-3-ylidene)-N-(2-sulfamoylethyl)propanamide
CID 116674896
2-(azetidin-3-ylidene)-N-(3-cyclohexyloxypropyl)propanamide
CID 116677186
2-(azetidin-3-ylidene)-N-prop-2-ynylpropanamide
CID 116674617
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(azetidin-3-ylidene)propanamide
CID 106236627
2-(azetidin-3-ylidene)-N-(2-ethylbutyl)propanamide
CID 116679121
2-(azetidin-3-ylidene)-N-[2-(3-methylbutoxy)ethyl]propanamide
CID 116677558
1-butyl-3-(4,4,4-trifluorobutyl)urea
CID 115663087
N'-(2-aminoethyl)-N-(4,4,4-trifluorobutyl)oxamide
CID 115514932
2-(azetidin-3-ylidene)-N-(2-methyl-3-methylsulfanylpropyl)propanamide
CID 116677985
2-(azetidin-3-ylidene)-N-(2-hydroxy-4-methylpentyl)propanamide
CID 107152926
2-(azetidin-3-ylidene)-N-[4-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 116675339

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutyl)propanamide (CID 116678663) is 2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutyl)propanamide is CC(C(=O)NCCCC(F)(F)F)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutyl)propanamide?
The InChIKey is VCSYUQZBAALUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-7(8-5-14-6-8)9(16)15-4-2-3-10(11,12)13/h14H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutyl)propanamide?
2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutyl)propanamide has a molecular weight of 236.24 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutyl)propanamide is sourced from PubChem (CID 116678663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).