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

C12H19F3N2O — CID 116676471

IUPAC2-(azetidin-3-ylidene)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)N(CC(C)C)CC(F)(F)F)=C1CNC1
InChIInChI=1S/C12H19F3N2O/c1-8(2)6-17(7-12(13,14)15)11(18)9(3)10-4-16-5-10/h8,16H,4-7H2,1-3H3
InChIKeyFMTBLLMSFCNQHR-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.95
Rot. Bonds4

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

2-(azetidin-3-ylidene)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 116676471) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID116676471
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name2-(azetidin-3-ylidene)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)N(CC(C)C)CC(F)(F)F)=C1CNC1
InChIInChI=1S/C12H19F3N2O/c1-8(2)6-17(7-12(13,14)15)11(18)9(3)10-4-16-5-10/h8,16H,4-7H2,1-3H3
InChIKeyFMTBLLMSFCNQHR-UHFFFAOYSA-N
XLogP1.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.95
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-(2-methylpropyl)prop-2-enamide;ethane
CID 177014956
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-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide
CID 107479340
2-(Azetidin-3-ylidene)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 113550815
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)-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 113551143
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-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide
CID 116675893
2-(azetidin-3-ylidene)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 116675906

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 116676471) is 2-(azetidin-3-ylidene)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide is CC(C(=O)N(CC(C)C)CC(F)(F)F)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is FMTBLLMSFCNQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-8(2)6-17(7-12(13,14)15)11(18)9(3)10-4-16-5-10/h8,16H,4-7H2,1-3H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
2-(azetidin-3-ylidene)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 264.29 g/mol, XLogP of 1.95, 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-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 116676471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).