2-(azetidin-3-ylidene)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide

C9H13F3N2O — CID 116675906

IUPAC2-(azetidin-3-ylidene)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)N(C)CC(F)(F)F)=C1CNC1
InChIInChI=1S/C9H13F3N2O/c1-6(7-3-13-4-7)8(15)14(2)5-9(10,11)12/h13H,3-5H2,1-2H3
InChIKeyOEIFIRSBGNEEBO-UHFFFAOYSA-N
MW222.21 g/mol
LogP0.93
Rot. Bonds2

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

2-(azetidin-3-ylidene)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 116675906) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID116675906
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name2-(azetidin-3-ylidene)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)N(C)CC(F)(F)F)=C1CNC1
InChIInChI=1S/C9H13F3N2O/c1-6(7-3-13-4-7)8(15)14(2)5-9(10,11)12/h13H,3-5H2,1-2H3
InChIKeyOEIFIRSBGNEEBO-UHFFFAOYSA-N
XLogP0.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 50.93
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-[(3,3-difluoroazetidin-1-yl)methyl]-N-methylprop-2-enamide
CID 172623955
2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutan-2-yl)propanamide
CID 105937470
2-(azetidin-3-ylidene)-N-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 106213267
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
1-(3-Amino-2,2-difluoropropyl)-3,4-dimethylpyrrole-2,5-dione
CID 114384586
2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propanamide
CID 116674607
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

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 116675906) is 2-(azetidin-3-ylidene)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide is CC(C(=O)N(C)CC(F)(F)F)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is OEIFIRSBGNEEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-6(7-3-13-4-7)8(15)14(2)5-9(10,11)12/h13H,3-5H2,1-2H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
2-(azetidin-3-ylidene)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 222.21 g/mol, XLogP of 0.93, 2 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-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 116675906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).