2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide

C8H14F2N2O — CID 115738577

IUPAC2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide
SMILESCN(CC(F)F)C(=O)CC1CNC1
InChIInChI=1S/C8H14F2N2O/c1-12(5-7(9)10)8(13)2-6-3-11-4-6/h6-7,11H,2-5H2,1H3
InChIKeyCZWJTWPYZUWDHO-UHFFFAOYSA-N
MW192.21 g/mol
LogP0.32
Rot. Bonds4

About 2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide

2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide (PubChem CID 115738577) has the molecular formula C8H14F2N2O and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide
PubChem CID115738577
Molecular FormulaC8H14F2N2O
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide
SMILESCN(CC(F)F)C(=O)CC1CNC1
InChIInChI=1S/C8H14F2N2O/c1-12(5-7(9)10)8(13)2-6-3-11-4-6/h6-7,11H,2-5H2,1H3
InChIKeyCZWJTWPYZUWDHO-UHFFFAOYSA-N
XLogP0.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(azetidin-3-yl)acetyl]-methylamino]acetic acid
CID 64609754
2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-methylacetamide
CID 64611813
N-methyl-N-(2-methylpropyl)-2-piperidin-3-ylacetamide
CID 62690193
N-(2,2-difluoroethyl)-N-methylazetidin-3-amine;ethane
CID 145168742
2-(azetidin-3-yl)-N-cyclobutyl-N-methylacetamide
CID 115739566
2-(azetidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 64616563
N-(2,2-difluoroethyl)-N-methyl-3-piperidin-3-ylbutanamide
CID 115738604
N-methyl-N-(4-methylpentyl)-2-pyrrolidin-3-ylacetamide
CID 115160396
2-(azetidin-3-yl)-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 64611177
N-(2,2-difluoroethyl)-N-methylbutanamide
CID 115611582
2-(azetidin-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64610975
2-(azetidin-3-yl)-N-cyclopropyl-N-ethylacetamide
CID 64616153

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide (CID 115738577) is 2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide is CN(CC(F)F)C(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide?
The InChIKey is CZWJTWPYZUWDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O/c1-12(5-7(9)10)8(13)2-6-3-11-4-6/h6-7,11H,2-5H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide?
2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide has a molecular weight of 192.21 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide is sourced from PubChem (CID 115738577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).