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

C11H15F3N2O — CID 116677480

IUPAC2-(azetidin-3-ylidene)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)N(CC(F)(F)F)C1CC1)=C1CNC1
InChIInChI=1S/C11H15F3N2O/c1-7(8-4-15-5-8)10(17)16(9-2-3-9)6-11(12,13)14/h9,15H,2-6H2,1H3
InChIKeyBBJGIKHXYFTPMW-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.46
Rot. Bonds3

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

2-(azetidin-3-ylidene)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 116677480) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID116677480
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name2-(azetidin-3-ylidene)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)N(CC(F)(F)F)C1CC1)=C1CNC1
InChIInChI=1S/C11H15F3N2O/c1-7(8-4-15-5-8)10(17)16(9-2-3-9)6-11(12,13)14/h9,15H,2-6H2,1H3
InChIKeyBBJGIKHXYFTPMW-UHFFFAOYSA-N
XLogP1.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.46
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-cyclopropyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)propanamide (CID 116677480) is 2-(azetidin-3-ylidene)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)propanamide is CC(C(=O)N(CC(F)(F)F)C1CC1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is BBJGIKHXYFTPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-7(8-4-15-5-8)10(17)16(9-2-3-9)6-11(12,13)14/h9,15H,2-6H2,1H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)propanamide?
2-(azetidin-3-ylidene)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 248.25 g/mol, XLogP of 1.46, 3 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-cyclopropyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 116677480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).