tert-butyl N-[2-(4-bromo-3-fluorophenoxy)ethyl]-N-methylcarbamate

C14H19BrFNO3 — CID 139317833

IUPACtert-butyl N-[2-(4-bromo-3-fluorophenoxy)ethyl]-N-methylcarbamate
SMILESCN(CCOc1ccc(Br)c(F)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H19BrFNO3/c1-14(2,3)20-13(18)17(4)7-8-19-10-5-6-11(15)12(16)9-10/h5-6,9H,7-8H2,1-4H3
InChIKeyUOWVGGMZPROLFG-UHFFFAOYSA-N
MW348.21 g/mol
LogP3.83
Rot. Bonds4

About tert-butyl N-[2-(4-bromo-3-fluorophenoxy)ethyl]-N-methylcarbamate

tert-butyl N-[2-(4-bromo-3-fluorophenoxy)ethyl]-N-methylcarbamate (PubChem CID 139317833) has the molecular formula C14H19BrFNO3 and a molecular weight of 348.21 g/mol. Its IUPAC name is tert-butyl N-[2-(4-bromo-3-fluorophenoxy)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-bromo-3-fluorophenoxy)ethyl]-N-methylcarbamate
PubChem CID139317833
Molecular FormulaC14H19BrFNO3
Molecular Weight348.21 g/mol
Exact Mass347.05
IUPAC Nametert-butyl N-[2-(4-bromo-3-fluorophenoxy)ethyl]-N-methylcarbamate
SMILESCN(CCOc1ccc(Br)c(F)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H19BrFNO3/c1-14(2,3)20-13(18)17(4)7-8-19-10-5-6-11(15)12(16)9-10/h5-6,9H,7-8H2,1-4H3
InChIKeyUOWVGGMZPROLFG-UHFFFAOYSA-N
XLogP3.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.21
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(3,5-difluorophenoxy)ethyl]-N-methylcarbamate
CID 146282121
tert-butyl N-[2-[4-(chloromethyl)phenoxy]ethyl]-N-methylcarbamate
CID 58870313
tert-butyl N-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]carbamate
CID 58790256
tert-butyl N-[2-(3-bromo-5-chlorophenoxy)ethyl]-N-methylcarbamate
CID 123463013
4-(4-bromo-3-fluorophenoxy)-2,2-dimethylbutanoic acid
CID 65248321
tert-butyl N-methyl-N-[2-[4-[3-(trifluoromethyl)diaziridin-3-yl]phenoxy]ethyl]carbamate
CID 166148008
tert-butyl N-[2-[4-bromo-2-(trifluoromethyl)phenoxy]ethyl]-N-methylcarbamate
CID 67294198
4-bromo-N-[2-(4-chlorophenoxy)ethyl]-3-fluoro-N-methylbenzamide
CID 60589214
tert-butyl N-[2-(2,5-difluoro-4-formylphenoxy)ethyl]-N-methylcarbamate
CID 157021850
tert-butyl N-[2-[2-[(3-amino-4-fluorophenoxy)methyl]-3,4-difluorophenoxy]ethyl]-N-methylcarbamate
CID 59334363
tert-butyl N-[3-[[2-(4-bromo-3-fluorophenyl)phenyl]methoxy]propyl]-N-methylcarbamate
CID 138734294
3-(4-bromo-3-fluorophenoxy)-N-(2-cyanoethyl)-N-methylpropanamide
CID 65203657

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-bromo-3-fluorophenoxy)ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-(4-bromo-3-fluorophenoxy)ethyl]-N-methylcarbamate (CID 139317833) is tert-butyl N-[2-(4-bromo-3-fluorophenoxy)ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(4-bromo-3-fluorophenoxy)ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-(4-bromo-3-fluorophenoxy)ethyl]-N-methylcarbamate is CN(CCOc1ccc(Br)c(F)c1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(4-bromo-3-fluorophenoxy)ethyl]-N-methylcarbamate?
The InChIKey is UOWVGGMZPROLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO3/c1-14(2,3)20-13(18)17(4)7-8-19-10-5-6-11(15)12(16)9-10/h5-6,9H,7-8H2,1-4H3.
What are the key properties of tert-butyl N-[2-(4-bromo-3-fluorophenoxy)ethyl]-N-methylcarbamate?
tert-butyl N-[2-(4-bromo-3-fluorophenoxy)ethyl]-N-methylcarbamate has a molecular weight of 348.21 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-bromo-3-fluorophenoxy)ethyl]-N-methylcarbamate is sourced from PubChem (CID 139317833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).