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

C10H16F2N2O — CID 177013560

IUPAC2-[(3,3-difluoroazetidin-1-yl)methyl]-N-propylprop-2-enamide
SMILESC=C(CN1CC(F)(F)C1)C(=O)NCCC
InChIInChI=1S/C10H16F2N2O/c1-3-4-13-9(15)8(2)5-14-6-10(11,12)7-14/h2-7H2,1H3,(H,13,15)
InChIKeyCTGVCFWPJHLQTA-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.02
Rot. Bonds5

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

2-[(3,3-difluoroazetidin-1-yl)methyl]-N-propylprop-2-enamide (PubChem CID 177013560) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-[(3,3-difluoroazetidin-1-yl)methyl]-N-propylprop-2-enamide.

Molecular Properties

Compound Name2-[(3,3-difluoroazetidin-1-yl)methyl]-N-propylprop-2-enamide
PubChem CID177013560
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name2-[(3,3-difluoroazetidin-1-yl)methyl]-N-propylprop-2-enamide
SMILESC=C(CN1CC(F)(F)C1)C(=O)NCCC
InChIInChI=1S/C10H16F2N2O/c1-3-4-13-9(15)8(2)5-14-6-10(11,12)7-14/h2-7H2,1H3,(H,13,15)
InChIKeyCTGVCFWPJHLQTA-UHFFFAOYSA-N
XLogP1.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.02
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

N-(3-(Dimethylamino)propyl)methacrylamide
CID 78882
N,N,N-trimethyl-3-[(2-methylacryloyl)amino]propan-1-aminium
CID 106429
2-Propenamide, N-[3-(diethylamino)propyl]-2-methyl-
CID 11651323
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-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enamide
CID 172624010
2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-(2,2-dimethylpropyl)prop-2-enamide
CID 176757604
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-difluoropyrrolidin-1-yl)methyl]-N-(2-methylpropyl)prop-2-enamide
CID 176758003

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluoroazetidin-1-yl)methyl]-N-propylprop-2-enamide?
The IUPAC name of 2-[(3,3-difluoroazetidin-1-yl)methyl]-N-propylprop-2-enamide (CID 177013560) is 2-[(3,3-difluoroazetidin-1-yl)methyl]-N-propylprop-2-enamide.
What is the SMILES notation for 2-[(3,3-difluoroazetidin-1-yl)methyl]-N-propylprop-2-enamide?
The canonical SMILES for 2-[(3,3-difluoroazetidin-1-yl)methyl]-N-propylprop-2-enamide is C=C(CN1CC(F)(F)C1)C(=O)NCCC.
What is the InChIKey of 2-[(3,3-difluoroazetidin-1-yl)methyl]-N-propylprop-2-enamide?
The InChIKey is CTGVCFWPJHLQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O/c1-3-4-13-9(15)8(2)5-14-6-10(11,12)7-14/h2-7H2,1H3,(H,13,15).
What are the key properties of 2-[(3,3-difluoroazetidin-1-yl)methyl]-N-propylprop-2-enamide?
2-[(3,3-difluoroazetidin-1-yl)methyl]-N-propylprop-2-enamide has a molecular weight of 218.25 g/mol, XLogP of 1.02, 5 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-propylprop-2-enamide is sourced from PubChem (CID 177013560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).