3-fluoro-1-methylazetidine-3-carboxamide

C5H9FN2O — CID 67987586

IUPAC3-fluoro-1-methylazetidine-3-carboxamide
SMILESCN1CC(F)(C(N)=O)C1
InChIInChI=1S/C5H9FN2O/c1-8-2-5(6,3-8)4(7)9/h2-3H2,1H3,(H2,7,9)
InChIKeyBMGSISKEVSWBIC-UHFFFAOYSA-N
MW132.14 g/mol
LogP-0.87
Rot. Bonds1

About 3-fluoro-1-methylazetidine-3-carboxamide

3-fluoro-1-methylazetidine-3-carboxamide (PubChem CID 67987586) has the molecular formula C5H9FN2O and a molecular weight of 132.14 g/mol. Its IUPAC name is 3-fluoro-1-methylazetidine-3-carboxamide.

Molecular Properties

Compound Name3-fluoro-1-methylazetidine-3-carboxamide
PubChem CID67987586
Molecular FormulaC5H9FN2O
Molecular Weight132.14 g/mol
Exact Mass132.07
IUPAC Name3-fluoro-1-methylazetidine-3-carboxamide
SMILESCN1CC(F)(C(N)=O)C1
InChIInChI=1S/C5H9FN2O/c1-8-2-5(6,3-8)4(7)9/h2-3H2,1H3,(H2,7,9)
InChIKeyBMGSISKEVSWBIC-UHFFFAOYSA-N
XLogP-0.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-1-methylazetidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methylazetidine-3-carboxamide?
The IUPAC name of 3-fluoro-1-methylazetidine-3-carboxamide (CID 67987586) is 3-fluoro-1-methylazetidine-3-carboxamide.
What is the SMILES notation for 3-fluoro-1-methylazetidine-3-carboxamide?
The canonical SMILES for 3-fluoro-1-methylazetidine-3-carboxamide is CN1CC(F)(C(N)=O)C1.
What is the InChIKey of 3-fluoro-1-methylazetidine-3-carboxamide?
The InChIKey is BMGSISKEVSWBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2O/c1-8-2-5(6,3-8)4(7)9/h2-3H2,1H3,(H2,7,9).
What are the key properties of 3-fluoro-1-methylazetidine-3-carboxamide?
3-fluoro-1-methylazetidine-3-carboxamide has a molecular weight of 132.14 g/mol, XLogP of -0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methylazetidine-3-carboxamide is sourced from PubChem (CID 67987586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).