2-fluoroethyl N-ethyl-N-(methoxymethyl)carbamate

C7H14FNO3 — CID 87169737

IUPAC2-fluoroethyl N-ethyl-N-(methoxymethyl)carbamate
SMILESCCN(COC)C(=O)OCCF
InChIInChI=1S/C7H14FNO3/c1-3-9(6-11-2)7(10)12-5-4-8/h3-6H2,1-2H3
InChIKeyXJYKODCVBSTKST-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.02
Rot. Bonds5

About 2-fluoroethyl N-ethyl-N-(methoxymethyl)carbamate

2-fluoroethyl N-ethyl-N-(methoxymethyl)carbamate (PubChem CID 87169737) has the molecular formula C7H14FNO3 and a molecular weight of 179.19 g/mol. Its IUPAC name is 2-fluoroethyl N-ethyl-N-(methoxymethyl)carbamate.

Molecular Properties

Compound Name2-fluoroethyl N-ethyl-N-(methoxymethyl)carbamate
PubChem CID87169737
Molecular FormulaC7H14FNO3
Molecular Weight179.19 g/mol
Exact Mass179.10
IUPAC Name2-fluoroethyl N-ethyl-N-(methoxymethyl)carbamate
SMILESCCN(COC)C(=O)OCCF
InChIInChI=1S/C7H14FNO3/c1-3-9(6-11-2)7(10)12-5-4-8/h3-6H2,1-2H3
InChIKeyXJYKODCVBSTKST-UHFFFAOYSA-N
XLogP1.02
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.02
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-ethyl-N-(methoxymethyl)carbamate?
The IUPAC name of 2-fluoroethyl N-ethyl-N-(methoxymethyl)carbamate (CID 87169737) is 2-fluoroethyl N-ethyl-N-(methoxymethyl)carbamate.
What is the SMILES notation for 2-fluoroethyl N-ethyl-N-(methoxymethyl)carbamate?
The canonical SMILES for 2-fluoroethyl N-ethyl-N-(methoxymethyl)carbamate is CCN(COC)C(=O)OCCF.
What is the InChIKey of 2-fluoroethyl N-ethyl-N-(methoxymethyl)carbamate?
The InChIKey is XJYKODCVBSTKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO3/c1-3-9(6-11-2)7(10)12-5-4-8/h3-6H2,1-2H3.
What are the key properties of 2-fluoroethyl N-ethyl-N-(methoxymethyl)carbamate?
2-fluoroethyl N-ethyl-N-(methoxymethyl)carbamate has a molecular weight of 179.19 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-ethyl-N-(methoxymethyl)carbamate is sourced from PubChem (CID 87169737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).