tert-butyl N-(4-bromo-2-fluorophenyl)carbamate

C11H13BrFNO2 — CID 22736228

IUPACtert-butyl N-(4-bromo-2-fluorophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C11H13BrFNO2/c1-11(2,3)16-10(15)14-9-5-4-7(12)6-8(9)13/h4-6H,1-3H3,(H,14,15)
InChIKeyDMHILFAMOKMHSO-UHFFFAOYSA-N
MW290.13 g/mol
LogP3.94
Rot. Bonds1

About tert-butyl N-(4-bromo-2-fluorophenyl)carbamate

tert-butyl N-(4-bromo-2-fluorophenyl)carbamate (PubChem CID 22736228) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is tert-butyl N-(4-bromo-2-fluorophenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-bromo-2-fluorophenyl)carbamate
PubChem CID22736228
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Nametert-butyl N-(4-bromo-2-fluorophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C11H13BrFNO2/c1-11(2,3)16-10(15)14-9-5-4-7(12)6-8(9)13/h4-6H,1-3H3,(H,14,15)
InChIKeyDMHILFAMOKMHSO-UHFFFAOYSA-N
XLogP3.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(4-bromo-2-fluorophenyl)-2-oxoacetamide
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tert-butyl N-[4-bromo-2-fluoro-5-(trifluoromethyl)phenyl]carbamate
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tert-butyl N-[2-fluoro-4-(3-hydroxyprop-1-enyl)phenyl]carbamate
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tert-butyl N-(2,5-difluorophenyl)carbamate
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tert-butyl N-(5-bromo-4-fluoro-2-formylphenyl)carbamate
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tert-butyl N-(2-bromo-4-methylsulfanylphenyl)carbamate
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N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)-2-methylpropanamide
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N-(4-bromo-2-fluorophenyl)-2-oxopropanamide
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-bromo-2-fluorophenyl)carbamate?
The IUPAC name of tert-butyl N-(4-bromo-2-fluorophenyl)carbamate (CID 22736228) is tert-butyl N-(4-bromo-2-fluorophenyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-bromo-2-fluorophenyl)carbamate?
The canonical SMILES for tert-butyl N-(4-bromo-2-fluorophenyl)carbamate is CC(C)(C)OC(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of tert-butyl N-(4-bromo-2-fluorophenyl)carbamate?
The InChIKey is DMHILFAMOKMHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-11(2,3)16-10(15)14-9-5-4-7(12)6-8(9)13/h4-6H,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-(4-bromo-2-fluorophenyl)carbamate?
tert-butyl N-(4-bromo-2-fluorophenyl)carbamate has a molecular weight of 290.13 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-bromo-2-fluorophenyl)carbamate is sourced from PubChem (CID 22736228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).