methyl N-fluoro-N-(1-methoxyethyl)carbamate

C5H10FNO3 — CID 23050912

IUPACmethyl N-fluoro-N-(1-methoxyethyl)carbamate
SMILESCOC(=O)N(F)C(C)OC
InChIInChI=1S/C5H10FNO3/c1-4(9-2)7(6)5(8)10-3/h4H,1-3H3
InChIKeyXNXUNWLQUXCIBZ-UHFFFAOYSA-N
MW151.14 g/mol
LogP0.93
Rot. Bonds2

About methyl N-fluoro-N-(1-methoxyethyl)carbamate

methyl N-fluoro-N-(1-methoxyethyl)carbamate (PubChem CID 23050912) has the molecular formula C5H10FNO3 and a molecular weight of 151.14 g/mol. Its IUPAC name is methyl N-fluoro-N-(1-methoxyethyl)carbamate.

Molecular Properties

Compound Namemethyl N-fluoro-N-(1-methoxyethyl)carbamate
PubChem CID23050912
Molecular FormulaC5H10FNO3
Molecular Weight151.14 g/mol
Exact Mass151.06
IUPAC Namemethyl N-fluoro-N-(1-methoxyethyl)carbamate
SMILESCOC(=O)N(F)C(C)OC
InChIInChI=1S/C5H10FNO3/c1-4(9-2)7(6)5(8)10-3/h4H,1-3H3
InChIKeyXNXUNWLQUXCIBZ-UHFFFAOYSA-N
XLogP0.93
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 50.93
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of methyl N-fluoro-N-(1-methoxyethyl)carbamate?
The IUPAC name of methyl N-fluoro-N-(1-methoxyethyl)carbamate (CID 23050912) is methyl N-fluoro-N-(1-methoxyethyl)carbamate.
What is the SMILES notation for methyl N-fluoro-N-(1-methoxyethyl)carbamate?
The canonical SMILES for methyl N-fluoro-N-(1-methoxyethyl)carbamate is COC(=O)N(F)C(C)OC.
What is the InChIKey of methyl N-fluoro-N-(1-methoxyethyl)carbamate?
The InChIKey is XNXUNWLQUXCIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO3/c1-4(9-2)7(6)5(8)10-3/h4H,1-3H3.
What are the key properties of methyl N-fluoro-N-(1-methoxyethyl)carbamate?
methyl N-fluoro-N-(1-methoxyethyl)carbamate has a molecular weight of 151.14 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-fluoro-N-(1-methoxyethyl)carbamate is sourced from PubChem (CID 23050912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).