ethyl N-fluoro-N-methylcarbamate

C4H8FNO2 — CID 23235956

IUPACethyl N-fluoro-N-methylcarbamate
SMILESCCOC(=O)N(C)F
InChIInChI=1S/C4H8FNO2/c1-3-8-4(7)6(2)5/h3H2,1-2H3
InChIKeyHQQCKWAFDLWVGJ-UHFFFAOYSA-N
MW121.11 g/mol
LogP0.96
Rot. Bonds1

About ethyl N-fluoro-N-methylcarbamate

ethyl N-fluoro-N-methylcarbamate (PubChem CID 23235956) has the molecular formula C4H8FNO2 and a molecular weight of 121.11 g/mol. Its IUPAC name is ethyl N-fluoro-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-fluoro-N-methylcarbamate
PubChem CID23235956
Molecular FormulaC4H8FNO2
Molecular Weight121.11 g/mol
Exact Mass121.05
IUPAC Nameethyl N-fluoro-N-methylcarbamate
SMILESCCOC(=O)N(C)F
InChIInChI=1S/C4H8FNO2/c1-3-8-4(7)6(2)5/h3H2,1-2H3
InChIKeyHQQCKWAFDLWVGJ-UHFFFAOYSA-N
XLogP0.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.11
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Carbamic acid, N,N-dimethyl-, ethyl ester
CID 12709
Ethyl N-methoxy-N-methylcarbamate
CID 533715
2-Fluoroethyl N,N-dimethylcarbamate
CID 89344688
methyl N-fluoro-N-(1-methoxyethyl)carbamate
CID 23050912
2-fluoroethyl N-methoxy-N-methylcarbamate
CID 87169676
2-fluoroethyl N-(methoxymethyl)-N-methylcarbamate
CID 87169703
CID 134952189
CID 134952189
ethyl N-fluoro-N-(hydroxymethyl)carbamate
CID 130126235
ethyl N-chloro-N-methylcarbamate
CID 12365402
Propyl dimethylcarbamate
CID 13244991
ethyl N-ethoxy-N-methylcarbamate
CID 14895675
Ethoxycarbonyl(trimethyl)azanium
CID 14913209

Frequently Asked Questions

What is the IUPAC name of ethyl N-fluoro-N-methylcarbamate?
The IUPAC name of ethyl N-fluoro-N-methylcarbamate (CID 23235956) is ethyl N-fluoro-N-methylcarbamate.
What is the SMILES notation for ethyl N-fluoro-N-methylcarbamate?
The canonical SMILES for ethyl N-fluoro-N-methylcarbamate is CCOC(=O)N(C)F.
What is the InChIKey of ethyl N-fluoro-N-methylcarbamate?
The InChIKey is HQQCKWAFDLWVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO2/c1-3-8-4(7)6(2)5/h3H2,1-2H3.
What are the key properties of ethyl N-fluoro-N-methylcarbamate?
ethyl N-fluoro-N-methylcarbamate has a molecular weight of 121.11 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-fluoro-N-methylcarbamate is sourced from PubChem (CID 23235956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).