tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate

C13H18FNO3 — CID 54333211

IUPACtert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccccc1F
InChIInChI=1S/C13H18FNO3/c1-13(2,3)18-12(16)15-8-9-17-11-7-5-4-6-10(11)14/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeySZUBCQJYOYRADB-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.73
Rot. Bonds4

About tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate

tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate (PubChem CID 54333211) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate
PubChem CID54333211
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Nametert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccccc1F
InChIInChI=1S/C13H18FNO3/c1-13(2,3)18-12(16)15-8-9-17-11-7-5-4-6-10(11)14/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeySZUBCQJYOYRADB-UHFFFAOYSA-N
XLogP2.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(5-bromo-2-fluorophenoxy)ethyl]carbamate
CID 138986153
N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide
CID 110478459
tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate
CID 118265568
tert-butyl N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]carbamate
CID 38455025
tert-butyl N-[3-[3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl]carbamate
CID 163359286
(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]propanamide;hydrochloride
CID 119266845
tert-butyl N-[3-[2-(methylaminomethyl)phenoxy]propyl]carbamate
CID 123160691
1-[2-(2-fluorophenoxy)ethyl]-3-pentylurea
CID 112970219
3-(2-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109845
tert-butyl N-[3-(2-amino-5-fluorophenoxy)propyl]carbamate
CID 177233914
tert-butyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate
CID 108883686
tert-butyl N-[2-[2-(4-amino-2-fluorophenoxy)ethoxy]ethyl]carbamate
CID 59174464

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate (CID 54333211) is tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate is CC(C)(C)OC(=O)NCCOc1ccccc1F.
What is the InChIKey of tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate?
The InChIKey is SZUBCQJYOYRADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-13(2,3)18-12(16)15-8-9-17-11-7-5-4-6-10(11)14/h4-7H,8-9H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate?
tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate has a molecular weight of 255.29 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate is sourced from PubChem (CID 54333211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).