2-(azetidin-3-ylidene)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide

C13H19F3N2O — CID 116676299

IUPAC2-(azetidin-3-ylidene)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)N(CC(F)(F)F)C(C)C1CC1)=C1CNC1
InChIInChI=1S/C13H19F3N2O/c1-8(11-5-17-6-11)12(19)18(7-13(14,15)16)9(2)10-3-4-10/h9-10,17H,3-7H2,1-2H3
InChIKeyUWVCPQWQFZOYLG-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.10
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide

2-(azetidin-3-ylidene)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 116676299) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID116676299
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name2-(azetidin-3-ylidene)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)N(CC(F)(F)F)C(C)C1CC1)=C1CNC1
InChIInChI=1S/C13H19F3N2O/c1-8(11-5-17-6-11)12(19)18(7-13(14,15)16)9(2)10-3-4-10/h9-10,17H,3-7H2,1-2H3
InChIKeyUWVCPQWQFZOYLG-UHFFFAOYSA-N
XLogP2.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.10
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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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 116676299) is 2-(azetidin-3-ylidene)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide is CC(C(=O)N(CC(F)(F)F)C(C)C1CC1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is UWVCPQWQFZOYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-8(11-5-17-6-11)12(19)18(7-13(14,15)16)9(2)10-3-4-10/h9-10,17H,3-7H2,1-2H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide?
2-(azetidin-3-ylidene)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 276.30 g/mol, XLogP of 2.10, 4 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-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 116676299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).