3-fluoroazetidine-1-carboxamide

C4H7FN2O — CID 126992888

IUPAC3-fluoroazetidine-1-carboxamide
SMILESNC(=O)N1CC(F)C1
InChIInChI=1S/C4H7FN2O/c5-3-1-7(2-3)4(6)8/h3H,1-2H2,(H2,6,8)
InChIKeyMFHXPDJCECKDTJ-UHFFFAOYSA-N
MW118.11 g/mol
LogP-0.28
Rot. Bonds

About 3-fluoroazetidine-1-carboxamide

3-fluoroazetidine-1-carboxamide (PubChem CID 126992888) has the molecular formula C4H7FN2O and a molecular weight of 118.11 g/mol. Its IUPAC name is 3-fluoroazetidine-1-carboxamide.

Molecular Properties

Compound Name3-fluoroazetidine-1-carboxamide
PubChem CID126992888
Molecular FormulaC4H7FN2O
Molecular Weight118.11 g/mol
Exact Mass118.05
IUPAC Name3-fluoroazetidine-1-carboxamide
SMILESNC(=O)N1CC(F)C1
InChIInChI=1S/C4H7FN2O/c5-3-1-7(2-3)4(6)8/h3H,1-2H2,(H2,6,8)
InChIKeyMFHXPDJCECKDTJ-UHFFFAOYSA-N
XLogP-0.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-fluoroazetidine-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

Related Compounds

Azetidine-1-carboxamide
CID 17992338
2-Fluoroazetidine-1-carboxamide
CID 118168930
3,3-Difluoroazetidine-1-carboxamide
CID 123290716
3-fluoro-N-methylazetidine-1-carboxamide
CID 131086353
3-Fluoro-3-methyl-1-azetidinecarboxamide
CID 131180846
2,2-Difluoroazetidine-1-carboxamide
CID 137352276
2,3-Difluoroazetidine-1-carboxamide
CID 137352277
2-fluoro-N-methylazetidine-1-carboxamide
CID 141334052
3,3-Difluoroazetidine-1-carboxamide;molecular hydrogen;propane
CID 144507525
3,3-Difluoroazetidine-1-carboxamide;ethane;molecular hydrogen
CID 145166691
3-(Trifluoromethyl)azetidine-1-carboxamide
CID 146609731
3-Cyano-3-fluoroazetidine-1-carboxamide
CID 153571193

Frequently Asked Questions

What is the IUPAC name of 3-fluoroazetidine-1-carboxamide?
The IUPAC name of 3-fluoroazetidine-1-carboxamide (CID 126992888) is 3-fluoroazetidine-1-carboxamide.
What is the SMILES notation for 3-fluoroazetidine-1-carboxamide?
The canonical SMILES for 3-fluoroazetidine-1-carboxamide is NC(=O)N1CC(F)C1.
What is the InChIKey of 3-fluoroazetidine-1-carboxamide?
The InChIKey is MFHXPDJCECKDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FN2O/c5-3-1-7(2-3)4(6)8/h3H,1-2H2,(H2,6,8).
What are the key properties of 3-fluoroazetidine-1-carboxamide?
3-fluoroazetidine-1-carboxamide has a molecular weight of 118.11 g/mol, XLogP of -0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoroazetidine-1-carboxamide is sourced from PubChem (CID 126992888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).