N-tert-butyl-2-(3-fluoroazetidin-1-yl)acetamide

C9H17FN2O — CID 129033915

IUPACN-tert-butyl-2-(3-fluoroazetidin-1-yl)acetamide
SMILESCC(C)(C)NC(=O)CN1CC(F)C1
InChIInChI=1S/C9H17FN2O/c1-9(2,3)11-8(13)6-12-4-7(10)5-12/h7H,4-6H2,1-3H3,(H,11,13)
InChIKeyFUICGFDTBNQQLK-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.55
Rot. Bonds2

About N-tert-butyl-2-(3-fluoroazetidin-1-yl)acetamide

N-tert-butyl-2-(3-fluoroazetidin-1-yl)acetamide (PubChem CID 129033915) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is N-tert-butyl-2-(3-fluoroazetidin-1-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3-fluoroazetidin-1-yl)acetamide
PubChem CID129033915
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC NameN-tert-butyl-2-(3-fluoroazetidin-1-yl)acetamide
SMILESCC(C)(C)NC(=O)CN1CC(F)C1
InChIInChI=1S/C9H17FN2O/c1-9(2,3)11-8(13)6-12-4-7(10)5-12/h7H,4-6H2,1-3H3,(H,11,13)
InChIKeyFUICGFDTBNQQLK-UHFFFAOYSA-N
XLogP0.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-fluoroazetidin-1-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(3-fluoroazetidin-1-yl)acetamide (CID 129033915) is N-tert-butyl-2-(3-fluoroazetidin-1-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(3-fluoroazetidin-1-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(3-fluoroazetidin-1-yl)acetamide is CC(C)(C)NC(=O)CN1CC(F)C1.
What is the InChIKey of N-tert-butyl-2-(3-fluoroazetidin-1-yl)acetamide?
The InChIKey is FUICGFDTBNQQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-9(2,3)11-8(13)6-12-4-7(10)5-12/h7H,4-6H2,1-3H3,(H,11,13).
What are the key properties of N-tert-butyl-2-(3-fluoroazetidin-1-yl)acetamide?
N-tert-butyl-2-(3-fluoroazetidin-1-yl)acetamide has a molecular weight of 188.25 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-fluoroazetidin-1-yl)acetamide is sourced from PubChem (CID 129033915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).