3-fluoro-N,3-dimethylazetidine-1-carboxamide

C6H11FN2O — CID 131089872

IUPAC3-fluoro-N,3-dimethylazetidine-1-carboxamide
SMILESCNC(=O)N1CC(C)(F)C1
InChIInChI=1S/C6H11FN2O/c1-6(7)3-9(4-6)5(10)8-2/h3-4H2,1-2H3,(H,8,10)
InChIKeyPPUIEKVRHTUJAO-UHFFFAOYSA-N
MW146.16 g/mol
LogP0.37
Rot. Bonds

About 3-fluoro-N,3-dimethylazetidine-1-carboxamide

3-fluoro-N,3-dimethylazetidine-1-carboxamide (PubChem CID 131089872) has the molecular formula C6H11FN2O and a molecular weight of 146.16 g/mol. Its IUPAC name is 3-fluoro-N,3-dimethylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-N,3-dimethylazetidine-1-carboxamide
PubChem CID131089872
Molecular FormulaC6H11FN2O
Molecular Weight146.16 g/mol
Exact Mass146.09
IUPAC Name3-fluoro-N,3-dimethylazetidine-1-carboxamide
SMILESCNC(=O)N1CC(C)(F)C1
InChIInChI=1S/C6H11FN2O/c1-6(7)3-9(4-6)5(10)8-2/h3-4H2,1-2H3,(H,8,10)
InChIKeyPPUIEKVRHTUJAO-UHFFFAOYSA-N
XLogP0.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-N,3-dimethylazetidine-1-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-N,3-dimethylazetidine-1-carboxamide?
The IUPAC name of 3-fluoro-N,3-dimethylazetidine-1-carboxamide (CID 131089872) is 3-fluoro-N,3-dimethylazetidine-1-carboxamide.
What is the SMILES notation for 3-fluoro-N,3-dimethylazetidine-1-carboxamide?
The canonical SMILES for 3-fluoro-N,3-dimethylazetidine-1-carboxamide is CNC(=O)N1CC(C)(F)C1.
What is the InChIKey of 3-fluoro-N,3-dimethylazetidine-1-carboxamide?
The InChIKey is PPUIEKVRHTUJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2O/c1-6(7)3-9(4-6)5(10)8-2/h3-4H2,1-2H3,(H,8,10).
What are the key properties of 3-fluoro-N,3-dimethylazetidine-1-carboxamide?
3-fluoro-N,3-dimethylazetidine-1-carboxamide has a molecular weight of 146.16 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,3-dimethylazetidine-1-carboxamide is sourced from PubChem (CID 131089872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).