tert-butyl N-[2-(2-fluoroethoxy)ethyl]-N-methylcarbamate

C10H20FNO3 — CID 86657900

IUPACtert-butyl N-[2-(2-fluoroethoxy)ethyl]-N-methylcarbamate
SMILESCN(CCOCCF)C(=O)OC(C)(C)C
InChIInChI=1S/C10H20FNO3/c1-10(2,3)15-9(13)12(4)6-8-14-7-5-11/h5-8H2,1-4H3
InChIKeyPYCQQZKPIWBCAA-UHFFFAOYSA-N
MW221.27 g/mol
LogP1.84
Rot. Bonds5

About tert-butyl N-[2-(2-fluoroethoxy)ethyl]-N-methylcarbamate

tert-butyl N-[2-(2-fluoroethoxy)ethyl]-N-methylcarbamate (PubChem CID 86657900) has the molecular formula C10H20FNO3 and a molecular weight of 221.27 g/mol. Its IUPAC name is tert-butyl N-[2-(2-fluoroethoxy)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-fluoroethoxy)ethyl]-N-methylcarbamate
PubChem CID86657900
Molecular FormulaC10H20FNO3
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Nametert-butyl N-[2-(2-fluoroethoxy)ethyl]-N-methylcarbamate
SMILESCN(CCOCCF)C(=O)OC(C)(C)C
InChIInChI=1S/C10H20FNO3/c1-10(2,3)15-9(13)12(4)6-8-14-7-5-11/h5-8H2,1-4H3
InChIKeyPYCQQZKPIWBCAA-UHFFFAOYSA-N
XLogP1.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-fluoroethoxy)ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-(2-fluoroethoxy)ethyl]-N-methylcarbamate (CID 86657900) is tert-butyl N-[2-(2-fluoroethoxy)ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(2-fluoroethoxy)ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-(2-fluoroethoxy)ethyl]-N-methylcarbamate is CN(CCOCCF)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-fluoroethoxy)ethyl]-N-methylcarbamate?
The InChIKey is PYCQQZKPIWBCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO3/c1-10(2,3)15-9(13)12(4)6-8-14-7-5-11/h5-8H2,1-4H3.
What are the key properties of tert-butyl N-[2-(2-fluoroethoxy)ethyl]-N-methylcarbamate?
tert-butyl N-[2-(2-fluoroethoxy)ethyl]-N-methylcarbamate has a molecular weight of 221.27 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-fluoroethoxy)ethyl]-N-methylcarbamate is sourced from PubChem (CID 86657900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).