methyl N-fluorocarbamate

C2H4FNO2 — CID 22621139

IUPACmethyl N-fluorocarbamate
SMILESCOC(=O)NF
InChIInChI=1S/C2H4FNO2/c1-6-2(5)4-3/h1H3,(H,4,5)
InChIKeyQEXZKLKOVVHFLT-UHFFFAOYSA-N
MW93.06 g/mol
LogP0.23
Rot. Bonds

About methyl N-fluorocarbamate

methyl N-fluorocarbamate (PubChem CID 22621139) has the molecular formula C2H4FNO2 and a molecular weight of 93.06 g/mol. Its IUPAC name is methyl N-fluorocarbamate.

Molecular Properties

Compound Namemethyl N-fluorocarbamate
PubChem CID22621139
Molecular FormulaC2H4FNO2
Molecular Weight93.06 g/mol
Exact Mass93.02
IUPAC Namemethyl N-fluorocarbamate
SMILESCOC(=O)NF
InChIInChI=1S/C2H4FNO2/c1-6-2(5)4-3/h1H3,(H,4,5)
InChIKeyQEXZKLKOVVHFLT-UHFFFAOYSA-N
XLogP0.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.06
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-fluorocarbamate?
The IUPAC name of methyl N-fluorocarbamate (CID 22621139) is methyl N-fluorocarbamate.
What is the SMILES notation for methyl N-fluorocarbamate?
The canonical SMILES for methyl N-fluorocarbamate is COC(=O)NF.
What is the InChIKey of methyl N-fluorocarbamate?
The InChIKey is QEXZKLKOVVHFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4FNO2/c1-6-2(5)4-3/h1H3,(H,4,5).
What are the key properties of methyl N-fluorocarbamate?
methyl N-fluorocarbamate has a molecular weight of 93.06 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-fluorocarbamate is sourced from PubChem (CID 22621139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).