tert-butyl 2-(4-bromo-2,6-difluoroanilino)acetate

C12H14BrF2NO2 — CID 65467828

IUPACtert-butyl 2-(4-bromo-2,6-difluoroanilino)acetate
SMILESCC(C)(C)OC(=O)CNc1c(F)cc(Br)cc1F
InChIInChI=1S/C12H14BrF2NO2/c1-12(2,3)18-10(17)6-16-11-8(14)4-7(13)5-9(11)15/h4-5,16H,6H2,1-3H3
InChIKeyFJTDJPIZXIDZDG-UHFFFAOYSA-N
MW322.15 g/mol
LogP3.48
Rot. Bonds3

About tert-butyl 2-(4-bromo-2,6-difluoroanilino)acetate

tert-butyl 2-(4-bromo-2,6-difluoroanilino)acetate (PubChem CID 65467828) has the molecular formula C12H14BrF2NO2 and a molecular weight of 322.15 g/mol. Its IUPAC name is tert-butyl 2-(4-bromo-2,6-difluoroanilino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(4-bromo-2,6-difluoroanilino)acetate
PubChem CID65467828
Molecular FormulaC12H14BrF2NO2
Molecular Weight322.15 g/mol
Exact Mass321.02
IUPAC Nametert-butyl 2-(4-bromo-2,6-difluoroanilino)acetate
SMILESCC(C)(C)OC(=O)CNc1c(F)cc(Br)cc1F
InChIInChI=1S/C12H14BrF2NO2/c1-12(2,3)18-10(17)6-16-11-8(14)4-7(13)5-9(11)15/h4-5,16H,6H2,1-3H3
InChIKeyFJTDJPIZXIDZDG-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(2,3,5-trifluoroanilino)acetate
CID 55138442
tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate
CID 143675559
tert-butyl 2-[(3-bromo-4-fluorophenyl)methylamino]acetate
CID 78994243
tert-butyl 4-(4-bromo-2,6-dimethylanilino)-4-oxobutanoate
CID 106706698
tert-butyl N-[(5-bromo-3-fluoro-2-hydroxyphenyl)methyl]carbamate
CID 167724582
tert-butyl N-[3-(4-bromo-2,6-difluorophenyl)prop-2-enyl]carbamate
CID 169468584
2-(4-bromo-2,6-difluoroanilino)-1-piperidin-1-ylethanone
CID 65467650
tert-butyl 2-[(5-bromo-2-pyridinyl)amino]acetate
CID 54591947
tert-butyl N-(4-bromo-2,6-difluorophenyl)carbamate;tert-butyl N-(2,6-difluoro-4-pyrrolidin-1-ylphenyl)carbamate
CID 165000167
tert-butyl 2-[[(2S)-5-(4-bromo-2-fluorophenyl)-2-[(2S)-butan-2-yl]-4-oxopentanoyl]amino]acetate
CID 146927112
2-(4-bromo-2,6-difluoroanilino)-N'-hydroxyethanimidamide
CID 77071872
tert-butyl 2-(3-hydroxyanilino)acetate
CID 68777039

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-bromo-2,6-difluoroanilino)acetate?
The IUPAC name of tert-butyl 2-(4-bromo-2,6-difluoroanilino)acetate (CID 65467828) is tert-butyl 2-(4-bromo-2,6-difluoroanilino)acetate.
What is the SMILES notation for tert-butyl 2-(4-bromo-2,6-difluoroanilino)acetate?
The canonical SMILES for tert-butyl 2-(4-bromo-2,6-difluoroanilino)acetate is CC(C)(C)OC(=O)CNc1c(F)cc(Br)cc1F.
What is the InChIKey of tert-butyl 2-(4-bromo-2,6-difluoroanilino)acetate?
The InChIKey is FJTDJPIZXIDZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2NO2/c1-12(2,3)18-10(17)6-16-11-8(14)4-7(13)5-9(11)15/h4-5,16H,6H2,1-3H3.
What are the key properties of tert-butyl 2-(4-bromo-2,6-difluoroanilino)acetate?
tert-butyl 2-(4-bromo-2,6-difluoroanilino)acetate has a molecular weight of 322.15 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-bromo-2,6-difluoroanilino)acetate is sourced from PubChem (CID 65467828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).