5-(azidomethyl)-3-fluorooxolan-2-one

C5H6FN3O2 — CID 10920795

IUPAC5-(azidomethyl)-3-fluorooxolan-2-one
SMILES[N-]=[N+]=NCC1CC(F)C(=O)O1
InChIInChI=1S/C5H6FN3O2/c6-4-1-3(2-8-9-7)11-5(4)10/h3-4H,1-2H2
InChIKeyKMIQMFOOFDDXLL-UHFFFAOYSA-N
MW159.12 g/mol
LogP0.95
Rot. Bonds2

About 5-(azidomethyl)-3-fluorooxolan-2-one

5-(azidomethyl)-3-fluorooxolan-2-one (PubChem CID 10920795) has the molecular formula C5H6FN3O2 and a molecular weight of 159.12 g/mol. Its IUPAC name is 5-(azidomethyl)-3-fluorooxolan-2-one.

Molecular Properties

Compound Name5-(azidomethyl)-3-fluorooxolan-2-one
PubChem CID10920795
Molecular FormulaC5H6FN3O2
Molecular Weight159.12 g/mol
Exact Mass159.04
IUPAC Name5-(azidomethyl)-3-fluorooxolan-2-one
SMILES[N-]=[N+]=NCC1CC(F)C(=O)O1
InChIInChI=1S/C5H6FN3O2/c6-4-1-3(2-8-9-7)11-5(4)10/h3-4H,1-2H2
InChIKeyKMIQMFOOFDDXLL-UHFFFAOYSA-N
XLogP0.95
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.12
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 5-(azidomethyl)-3-fluorooxolan-2-one 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

5-(Azidomethyl)oxolan-2-one
CID 13416682
5-(Azidomethyl)-3,3-difluorooxolan-2-one
CID 49793726
(4S,5S)-5-(azidomethyl)-4-deuteriooxolan-2-one
CID 11051758
(5R)-5-(azidomethyl)-3,3-difluorooxolan-2-one
CID 95757491
(5S)-5-(azidomethyl)-3,3-difluorooxolan-2-one
CID 95757492
2(3H)-Furanone, 5-(azidomethyl)dihydro-, (S)-
CID 11126355
(5R)-5-(azidomethyl)oxolan-2-one
CID 13416683
5-[[(5-Oxooxolan-2-yl)methyldiazenyl]methyl]oxolan-2-one
CID 17803324

Frequently Asked Questions

What is the IUPAC name of 5-(azidomethyl)-3-fluorooxolan-2-one?
The IUPAC name of 5-(azidomethyl)-3-fluorooxolan-2-one (CID 10920795) is 5-(azidomethyl)-3-fluorooxolan-2-one.
What is the SMILES notation for 5-(azidomethyl)-3-fluorooxolan-2-one?
The canonical SMILES for 5-(azidomethyl)-3-fluorooxolan-2-one is [N-]=[N+]=NCC1CC(F)C(=O)O1.
What is the InChIKey of 5-(azidomethyl)-3-fluorooxolan-2-one?
The InChIKey is KMIQMFOOFDDXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3O2/c6-4-1-3(2-8-9-7)11-5(4)10/h3-4H,1-2H2.
What are the key properties of 5-(azidomethyl)-3-fluorooxolan-2-one?
5-(azidomethyl)-3-fluorooxolan-2-one has a molecular weight of 159.12 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-3-fluorooxolan-2-one is sourced from PubChem (CID 10920795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).