N-[(3-fluoroazetidin-3-yl)methyl]acetamide

C6H11FN2O — CID 146329630

IUPACN-[(3-fluoroazetidin-3-yl)methyl]acetamide
SMILESCC(=O)NCC1(F)CNC1
InChIInChI=1S/C6H11FN2O/c1-5(10)9-4-6(7)2-8-3-6/h8H,2-4H2,1H3,(H,9,10)
InChIKeyGBXRKCIACRJNJQ-UHFFFAOYSA-N
MW146.16 g/mol
LogP-0.57
Rot. Bonds2

About N-[(3-fluoroazetidin-3-yl)methyl]acetamide

N-[(3-fluoroazetidin-3-yl)methyl]acetamide (PubChem CID 146329630) has the molecular formula C6H11FN2O and a molecular weight of 146.16 g/mol. Its IUPAC name is N-[(3-fluoroazetidin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3-fluoroazetidin-3-yl)methyl]acetamide
PubChem CID146329630
Molecular FormulaC6H11FN2O
Molecular Weight146.16 g/mol
Exact Mass146.09
IUPAC NameN-[(3-fluoroazetidin-3-yl)methyl]acetamide
SMILESCC(=O)NCC1(F)CNC1
InChIInChI=1S/C6H11FN2O/c1-5(10)9-4-6(7)2-8-3-6/h8H,2-4H2,1H3,(H,9,10)
InChIKeyGBXRKCIACRJNJQ-UHFFFAOYSA-N
XLogP-0.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoroazetidin-3-yl)methyl]acetamide?
The IUPAC name of N-[(3-fluoroazetidin-3-yl)methyl]acetamide (CID 146329630) is N-[(3-fluoroazetidin-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(3-fluoroazetidin-3-yl)methyl]acetamide?
The canonical SMILES for N-[(3-fluoroazetidin-3-yl)methyl]acetamide is CC(=O)NCC1(F)CNC1.
What is the InChIKey of N-[(3-fluoroazetidin-3-yl)methyl]acetamide?
The InChIKey is GBXRKCIACRJNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2O/c1-5(10)9-4-6(7)2-8-3-6/h8H,2-4H2,1H3,(H,9,10).
What are the key properties of N-[(3-fluoroazetidin-3-yl)methyl]acetamide?
N-[(3-fluoroazetidin-3-yl)methyl]acetamide has a molecular weight of 146.16 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoroazetidin-3-yl)methyl]acetamide is sourced from PubChem (CID 146329630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).