2-[(3,3-difluoroazetidin-1-yl)methyl]prop-2-enamide

C7H10F2N2O — CID 177014892

IUPAC2-[(3,3-difluoroazetidin-1-yl)methyl]prop-2-enamide
SMILESC=C(CN1CC(F)(F)C1)C(N)=O
InChIInChI=1S/C7H10F2N2O/c1-5(6(10)12)2-11-3-7(8,9)4-11/h1-4H2,(H2,10,12)
InChIKeyYZDPFJRMGPLNBX-UHFFFAOYSA-N
MW176.17 g/mol
LogP-0.02
Rot. Bonds3

About 2-[(3,3-difluoroazetidin-1-yl)methyl]prop-2-enamide

2-[(3,3-difluoroazetidin-1-yl)methyl]prop-2-enamide (PubChem CID 177014892) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-[(3,3-difluoroazetidin-1-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name2-[(3,3-difluoroazetidin-1-yl)methyl]prop-2-enamide
PubChem CID177014892
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name2-[(3,3-difluoroazetidin-1-yl)methyl]prop-2-enamide
SMILESC=C(CN1CC(F)(F)C1)C(N)=O
InChIInChI=1S/C7H10F2N2O/c1-5(6(10)12)2-11-3-7(8,9)4-11/h1-4H2,(H2,10,12)
InChIKeyYZDPFJRMGPLNBX-UHFFFAOYSA-N
XLogP-0.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-0.02
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

3-Methylidene-1-(2,2,2-trifluoroethyl)azetidin-2-one
CID 22403702
1-(2,2,2-Trifluoroethyl)-2,5-dihydropyrrole-3-carboxamide
CID 141635827
N-methyl-2-[[3-(trifluoromethyl)azetidin-1-yl]methyl]prop-2-enamide
CID 172623392
2-[(3-fluoroazetidin-1-yl)methyl]-N-methylprop-2-enamide
CID 172623407
2-[(3,3-difluoroazetidin-1-yl)methyl]-N-methylprop-2-enamide
CID 172623955
2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-methylprop-2-enamide
CID 172623971
N-tert-butyl-2-[(3,3-difluoroazetidin-1-yl)methyl]prop-2-enamide
CID 176757664
2-[(3,3-difluoroazetidin-1-yl)methyl]-N-(2,2-dimethylpropyl)prop-2-enamide
CID 176757841
2-[(3,3-difluoroazetidin-1-yl)methyl]-N-propylprop-2-enamide
CID 177013560
2-[(3,3-difluoroazetidin-1-yl)methyl]-N-(2,2-dimethylpropyl)prop-2-enamide;molecular hydrogen
CID 177014845
2-[(3,3-Difluoroazetidin-1-yl)methyl]prop-2-enamide;ethane
CID 177014891
2-(Azetidin-1-ylmethyl)prop-2-enamide;ethane;molecular hydrogen
CID 177014727

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluoroazetidin-1-yl)methyl]prop-2-enamide?
The IUPAC name of 2-[(3,3-difluoroazetidin-1-yl)methyl]prop-2-enamide (CID 177014892) is 2-[(3,3-difluoroazetidin-1-yl)methyl]prop-2-enamide.
What is the SMILES notation for 2-[(3,3-difluoroazetidin-1-yl)methyl]prop-2-enamide?
The canonical SMILES for 2-[(3,3-difluoroazetidin-1-yl)methyl]prop-2-enamide is C=C(CN1CC(F)(F)C1)C(N)=O.
What is the InChIKey of 2-[(3,3-difluoroazetidin-1-yl)methyl]prop-2-enamide?
The InChIKey is YZDPFJRMGPLNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O/c1-5(6(10)12)2-11-3-7(8,9)4-11/h1-4H2,(H2,10,12).
What are the key properties of 2-[(3,3-difluoroazetidin-1-yl)methyl]prop-2-enamide?
2-[(3,3-difluoroazetidin-1-yl)methyl]prop-2-enamide has a molecular weight of 176.17 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluoroazetidin-1-yl)methyl]prop-2-enamide is sourced from PubChem (CID 177014892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).