2-(azetidin-3-ylidene)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide

C13H21F3N2O — CID 116676498

IUPAC2-(azetidin-3-ylidene)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C(C)=C1CNC1
InChIInChI=1S/C13H21F3N2O/c1-4-11(5-2)18(8-13(14,15)16)12(19)9(3)10-6-17-7-10/h11,17H,4-8H2,1-3H3
InChIKeyXGRGIMBGPHPTDI-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.49
Rot. Bonds5

About 2-(azetidin-3-ylidene)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide

2-(azetidin-3-ylidene)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 116676498) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID116676498
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name2-(azetidin-3-ylidene)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C(C)=C1CNC1
InChIInChI=1S/C13H21F3N2O/c1-4-11(5-2)18(8-13(14,15)16)12(19)9(3)10-6-17-7-10/h11,17H,4-8H2,1-3H3
InChIKeyXGRGIMBGPHPTDI-UHFFFAOYSA-N
XLogP2.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutan-2-yl)propanamide
CID 105937470
2-(azetidin-3-ylidene)-N-(2,2,3,3-tetrafluoropropyl)propanamide
CID 106291836
2-(azetidin-3-ylidene)-N-butyl-N-(2,2,2-trifluoroethyl)propanamide
CID 113550851
2-(azetidin-3-ylidene)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 113550858
2-(azetidin-3-ylidene)-N-(5,5,5-trifluoropentyl)propanamide
CID 113551262
2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propanamide
CID 116674607
2-(azetidin-3-ylidene)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 116675906
2-(azetidin-3-ylidene)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 116676299
2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 116676447
2-(azetidin-3-ylidene)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 116676468
2-(azetidin-3-ylidene)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 116676471
2-(azetidin-3-ylidene)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
CID 116676489

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide (CID 116676498) is 2-(azetidin-3-ylidene)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide is CCC(CC)N(CC(F)(F)F)C(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is XGRGIMBGPHPTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-4-11(5-2)18(8-13(14,15)16)12(19)9(3)10-6-17-7-10/h11,17H,4-8H2,1-3H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
2-(azetidin-3-ylidene)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 278.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 116676498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).