2-fluoroethyl N-(methoxymethyl)-N-methylcarbamate

C6H12FNO3 — CID 87169703

IUPAC2-fluoroethyl N-(methoxymethyl)-N-methylcarbamate
SMILESCOCN(C)C(=O)OCCF
InChIInChI=1S/C6H12FNO3/c1-8(5-10-2)6(9)11-4-3-7/h3-5H2,1-2H3
InChIKeyWUQTWIUVWKOHIS-UHFFFAOYSA-N
MW165.16 g/mol
LogP0.63
Rot. Bonds4

About 2-fluoroethyl N-(methoxymethyl)-N-methylcarbamate

2-fluoroethyl N-(methoxymethyl)-N-methylcarbamate (PubChem CID 87169703) has the molecular formula C6H12FNO3 and a molecular weight of 165.16 g/mol. Its IUPAC name is 2-fluoroethyl N-(methoxymethyl)-N-methylcarbamate.

Molecular Properties

Compound Name2-fluoroethyl N-(methoxymethyl)-N-methylcarbamate
PubChem CID87169703
Molecular FormulaC6H12FNO3
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name2-fluoroethyl N-(methoxymethyl)-N-methylcarbamate
SMILESCOCN(C)C(=O)OCCF
InChIInChI=1S/C6H12FNO3/c1-8(5-10-2)6(9)11-4-3-7/h3-5H2,1-2H3
InChIKeyWUQTWIUVWKOHIS-UHFFFAOYSA-N
XLogP0.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-(methoxymethyl)-N-methylcarbamate?
The IUPAC name of 2-fluoroethyl N-(methoxymethyl)-N-methylcarbamate (CID 87169703) is 2-fluoroethyl N-(methoxymethyl)-N-methylcarbamate.
What is the SMILES notation for 2-fluoroethyl N-(methoxymethyl)-N-methylcarbamate?
The canonical SMILES for 2-fluoroethyl N-(methoxymethyl)-N-methylcarbamate is COCN(C)C(=O)OCCF.
What is the InChIKey of 2-fluoroethyl N-(methoxymethyl)-N-methylcarbamate?
The InChIKey is WUQTWIUVWKOHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO3/c1-8(5-10-2)6(9)11-4-3-7/h3-5H2,1-2H3.
What are the key properties of 2-fluoroethyl N-(methoxymethyl)-N-methylcarbamate?
2-fluoroethyl N-(methoxymethyl)-N-methylcarbamate has a molecular weight of 165.16 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-(methoxymethyl)-N-methylcarbamate is sourced from PubChem (CID 87169703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).