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

C8H12F2N2O — CID 172623955

IUPAC2-[(3,3-difluoroazetidin-1-yl)methyl]-N-methylprop-2-enamide
SMILESC=C(CN1CC(F)(F)C1)C(=O)NC
InChIInChI=1S/C8H12F2N2O/c1-6(7(13)11-2)3-12-4-8(9,10)5-12/h1,3-5H2,2H3,(H,11,13)
InChIKeyNHMLWDJNXOHDHQ-UHFFFAOYSA-N
MW190.19 g/mol
LogP0.24
Rot. Bonds3

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

2-[(3,3-difluoroazetidin-1-yl)methyl]-N-methylprop-2-enamide (PubChem CID 172623955) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 2-[(3,3-difluoroazetidin-1-yl)methyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name2-[(3,3-difluoroazetidin-1-yl)methyl]-N-methylprop-2-enamide
PubChem CID172623955
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name2-[(3,3-difluoroazetidin-1-yl)methyl]-N-methylprop-2-enamide
SMILESC=C(CN1CC(F)(F)C1)C(=O)NC
InChIInChI=1S/C8H12F2N2O/c1-6(7(13)11-2)3-12-4-8(9,10)5-12/h1,3-5H2,2H3,(H,11,13)
InChIKeyNHMLWDJNXOHDHQ-UHFFFAOYSA-N
XLogP0.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 50.24
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-fluoro-N-methyl-1-prop-2-enoylazetidine-3-carboxamide
CID 167529379
(Z)-2-[(dimethylamino)methyl]-3-fluoro-N-methylprop-2-enamide
CID 171507573
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-fluoro-3-methylazetidin-1-yl)methyl]-N-methylprop-2-enamide
CID 172623971
N-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enamide
CID 172624010
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-difluoropyrrolidin-1-yl)methyl]-N-methylprop-2-enamide;ethane
CID 177013655
2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-methylprop-2-enamide
CID 177013656
2-[(3,3-difluoroazetidin-1-yl)methyl]-N-(2,2-dimethylpropyl)prop-2-enamide;molecular hydrogen
CID 177014845

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluoroazetidin-1-yl)methyl]-N-methylprop-2-enamide?
The IUPAC name of 2-[(3,3-difluoroazetidin-1-yl)methyl]-N-methylprop-2-enamide (CID 172623955) is 2-[(3,3-difluoroazetidin-1-yl)methyl]-N-methylprop-2-enamide.
What is the SMILES notation for 2-[(3,3-difluoroazetidin-1-yl)methyl]-N-methylprop-2-enamide?
The canonical SMILES for 2-[(3,3-difluoroazetidin-1-yl)methyl]-N-methylprop-2-enamide is C=C(CN1CC(F)(F)C1)C(=O)NC.
What is the InChIKey of 2-[(3,3-difluoroazetidin-1-yl)methyl]-N-methylprop-2-enamide?
The InChIKey is NHMLWDJNXOHDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-6(7(13)11-2)3-12-4-8(9,10)5-12/h1,3-5H2,2H3,(H,11,13).
What are the key properties of 2-[(3,3-difluoroazetidin-1-yl)methyl]-N-methylprop-2-enamide?
2-[(3,3-difluoroazetidin-1-yl)methyl]-N-methylprop-2-enamide has a molecular weight of 190.19 g/mol, XLogP of 0.24, 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]-N-methylprop-2-enamide is sourced from PubChem (CID 172623955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).