2-(4-tert-butyl-2-fluorophenoxy)ethyl N-tert-butylcarbamate

C17H26FNO3 — CID 123451561

IUPAC2-(4-tert-butyl-2-fluorophenoxy)ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCOc1ccc(C(C)(C)C)cc1F
InChIInChI=1S/C17H26FNO3/c1-16(2,3)12-7-8-14(13(18)11-12)21-9-10-22-15(20)19-17(4,5)6/h7-8,11H,9-10H2,1-6H3,(H,19,20)
InChIKeyIYAZGRNHHQOYOP-UHFFFAOYSA-N
MW311.40 g/mol
LogP4.03
Rot. Bonds4

About 2-(4-tert-butyl-2-fluorophenoxy)ethyl N-tert-butylcarbamate

2-(4-tert-butyl-2-fluorophenoxy)ethyl N-tert-butylcarbamate (PubChem CID 123451561) has the molecular formula C17H26FNO3 and a molecular weight of 311.40 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-fluorophenoxy)ethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-(4-tert-butyl-2-fluorophenoxy)ethyl N-tert-butylcarbamate
PubChem CID123451561
Molecular FormulaC17H26FNO3
Molecular Weight311.40 g/mol
Exact Mass311.19
IUPAC Name2-(4-tert-butyl-2-fluorophenoxy)ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCOc1ccc(C(C)(C)C)cc1F
InChIInChI=1S/C17H26FNO3/c1-16(2,3)12-7-8-14(13(18)11-12)21-9-10-22-15(20)19-17(4,5)6/h7-8,11H,9-10H2,1-6H3,(H,19,20)
InChIKeyIYAZGRNHHQOYOP-UHFFFAOYSA-N
XLogP4.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 54.03
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-fluorophenoxy)ethyl N-tert-butylcarbamate?
The IUPAC name of 2-(4-tert-butyl-2-fluorophenoxy)ethyl N-tert-butylcarbamate (CID 123451561) is 2-(4-tert-butyl-2-fluorophenoxy)ethyl N-tert-butylcarbamate.
What is the SMILES notation for 2-(4-tert-butyl-2-fluorophenoxy)ethyl N-tert-butylcarbamate?
The canonical SMILES for 2-(4-tert-butyl-2-fluorophenoxy)ethyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCCOc1ccc(C(C)(C)C)cc1F.
What is the InChIKey of 2-(4-tert-butyl-2-fluorophenoxy)ethyl N-tert-butylcarbamate?
The InChIKey is IYAZGRNHHQOYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO3/c1-16(2,3)12-7-8-14(13(18)11-12)21-9-10-22-15(20)19-17(4,5)6/h7-8,11H,9-10H2,1-6H3,(H,19,20).
What are the key properties of 2-(4-tert-butyl-2-fluorophenoxy)ethyl N-tert-butylcarbamate?
2-(4-tert-butyl-2-fluorophenoxy)ethyl N-tert-butylcarbamate has a molecular weight of 311.40 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-fluorophenoxy)ethyl N-tert-butylcarbamate is sourced from PubChem (CID 123451561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).