ethyl N-fluoro-N-(hydroxymethyl)carbamate

C4H8FNO3 — CID 130126235

IUPACethyl N-fluoro-N-(hydroxymethyl)carbamate
SMILESCCOC(=O)N(F)CO
InChIInChI=1S/C4H8FNO3/c1-2-9-4(8)6(5)3-7/h7H,2-3H2,1H3
InChIKeyVGBRZDCOCOBLRC-UHFFFAOYSA-N
MW137.11 g/mol
LogP0.28
Rot. Bonds2

About ethyl N-fluoro-N-(hydroxymethyl)carbamate

ethyl N-fluoro-N-(hydroxymethyl)carbamate (PubChem CID 130126235) has the molecular formula C4H8FNO3 and a molecular weight of 137.11 g/mol. Its IUPAC name is ethyl N-fluoro-N-(hydroxymethyl)carbamate.

Molecular Properties

Compound Nameethyl N-fluoro-N-(hydroxymethyl)carbamate
PubChem CID130126235
Molecular FormulaC4H8FNO3
Molecular Weight137.11 g/mol
Exact Mass137.05
IUPAC Nameethyl N-fluoro-N-(hydroxymethyl)carbamate
SMILESCCOC(=O)N(F)CO
InChIInChI=1S/C4H8FNO3/c1-2-9-4(8)6(5)3-7/h7H,2-3H2,1H3
InChIKeyVGBRZDCOCOBLRC-UHFFFAOYSA-N
XLogP0.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.11
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dimethylol propyl carbamate
CID 53998168
Ethyl N,N-bis(hydroxymethyl)carbamate
CID 77491
Fluoro(1-methoxyethyl)carbamic acid
CID 23050911
ethyl N-fluoro-N-methylcarbamate
CID 23235956
Ethyl (hydroxymethyl)(methoxymethyl)carbamate
CID 83094
ethyl N-(hydroxymethyl)-N-methylcarbamate
CID 21453677
Ethoxycarbonyl-tris(hydroxymethyl)azanium
CID 87356902
ethyl N,N-dimethylcarbamate;methanol
CID 91324279

Frequently Asked Questions

What is the IUPAC name of ethyl N-fluoro-N-(hydroxymethyl)carbamate?
The IUPAC name of ethyl N-fluoro-N-(hydroxymethyl)carbamate (CID 130126235) is ethyl N-fluoro-N-(hydroxymethyl)carbamate.
What is the SMILES notation for ethyl N-fluoro-N-(hydroxymethyl)carbamate?
The canonical SMILES for ethyl N-fluoro-N-(hydroxymethyl)carbamate is CCOC(=O)N(F)CO.
What is the InChIKey of ethyl N-fluoro-N-(hydroxymethyl)carbamate?
The InChIKey is VGBRZDCOCOBLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO3/c1-2-9-4(8)6(5)3-7/h7H,2-3H2,1H3.
What are the key properties of ethyl N-fluoro-N-(hydroxymethyl)carbamate?
ethyl N-fluoro-N-(hydroxymethyl)carbamate has a molecular weight of 137.11 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-fluoro-N-(hydroxymethyl)carbamate is sourced from PubChem (CID 130126235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).