2-fluoroethyl N-diazocarbamate

C3H4FN3O2 — CID 154161850

IUPAC2-fluoroethyl N-diazocarbamate
SMILES[N-]=[N+]=NC(=O)OCCF
InChIInChI=1S/C3H4FN3O2/c4-1-2-9-3(8)6-7-5/h1-2H2
InChIKeyUWRLVRPBBAVBAG-UHFFFAOYSA-N
MW133.08 g/mol
LogP1.40
Rot. Bonds2

About 2-fluoroethyl N-diazocarbamate

2-fluoroethyl N-diazocarbamate (PubChem CID 154161850) has the molecular formula C3H4FN3O2 and a molecular weight of 133.08 g/mol. Its IUPAC name is 2-fluoroethyl N-diazocarbamate.

Molecular Properties

Compound Name2-fluoroethyl N-diazocarbamate
PubChem CID154161850
Molecular FormulaC3H4FN3O2
Molecular Weight133.08 g/mol
Exact Mass133.03
IUPAC Name2-fluoroethyl N-diazocarbamate
SMILES[N-]=[N+]=NC(=O)OCCF
InChIInChI=1S/C3H4FN3O2/c4-1-2-9-3(8)6-7-5/h1-2H2
InChIKeyUWRLVRPBBAVBAG-UHFFFAOYSA-N
XLogP1.40
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.08
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-fluoroethyl N-diazocarbamate 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 2-fluoroethyl N-diazocarbamate?
The IUPAC name of 2-fluoroethyl N-diazocarbamate (CID 154161850) is 2-fluoroethyl N-diazocarbamate.
What is the SMILES notation for 2-fluoroethyl N-diazocarbamate?
The canonical SMILES for 2-fluoroethyl N-diazocarbamate is [N-]=[N+]=NC(=O)OCCF.
What is the InChIKey of 2-fluoroethyl N-diazocarbamate?
The InChIKey is UWRLVRPBBAVBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4FN3O2/c4-1-2-9-3(8)6-7-5/h1-2H2.
What are the key properties of 2-fluoroethyl N-diazocarbamate?
2-fluoroethyl N-diazocarbamate has a molecular weight of 133.08 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-diazocarbamate is sourced from PubChem (CID 154161850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).