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

C10H15F3N2O — CID 116678235

IUPAC2-(azetidin-3-ylidene)-N-methyl-N-(3,3,3-trifluoropropyl)propanamide
SMILESCC(C(=O)N(C)CCC(F)(F)F)=C1CNC1
InChIInChI=1S/C10H15F3N2O/c1-7(8-5-14-6-8)9(16)15(2)4-3-10(11,12)13/h14H,3-6H2,1-2H3
InChIKeyGRYRZLOJHCWADL-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.32
Rot. Bonds3

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

2-(azetidin-3-ylidene)-N-methyl-N-(3,3,3-trifluoropropyl)propanamide (PubChem CID 116678235) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-methyl-N-(3,3,3-trifluoropropyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-methyl-N-(3,3,3-trifluoropropyl)propanamide
PubChem CID116678235
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name2-(azetidin-3-ylidene)-N-methyl-N-(3,3,3-trifluoropropyl)propanamide
SMILESCC(C(=O)N(C)CCC(F)(F)F)=C1CNC1
InChIInChI=1S/C10H15F3N2O/c1-7(8-5-14-6-8)9(16)15(2)4-3-10(11,12)13/h14H,3-6H2,1-2H3
InChIKeyGRYRZLOJHCWADL-UHFFFAOYSA-N
XLogP1.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.32
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-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 116675906
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

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-methyl-N-(3,3,3-trifluoropropyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-methyl-N-(3,3,3-trifluoropropyl)propanamide (CID 116678235) is 2-(azetidin-3-ylidene)-N-methyl-N-(3,3,3-trifluoropropyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-methyl-N-(3,3,3-trifluoropropyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-methyl-N-(3,3,3-trifluoropropyl)propanamide is CC(C(=O)N(C)CCC(F)(F)F)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-methyl-N-(3,3,3-trifluoropropyl)propanamide?
The InChIKey is GRYRZLOJHCWADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-7(8-5-14-6-8)9(16)15(2)4-3-10(11,12)13/h14H,3-6H2,1-2H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-methyl-N-(3,3,3-trifluoropropyl)propanamide?
2-(azetidin-3-ylidene)-N-methyl-N-(3,3,3-trifluoropropyl)propanamide has a molecular weight of 236.24 g/mol, XLogP of 1.32, 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-methyl-N-(3,3,3-trifluoropropyl)propanamide is sourced from PubChem (CID 116678235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).