tert-butyl N-(2-bromofuran-3-yl)carbamate

C9H12BrNO3 — CID 53420002

IUPACtert-butyl N-(2-bromofuran-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccoc1Br
InChIInChI=1S/C9H12BrNO3/c1-9(2,3)14-8(12)11-6-4-5-13-7(6)10/h4-5H,1-3H3,(H,11,12)
InChIKeyGMFDRRLTEWNSRW-UHFFFAOYSA-N
MW262.10 g/mol
LogP3.39
Rot. Bonds1

About tert-butyl N-(2-bromofuran-3-yl)carbamate

tert-butyl N-(2-bromofuran-3-yl)carbamate (PubChem CID 53420002) has the molecular formula C9H12BrNO3 and a molecular weight of 262.10 g/mol. Its IUPAC name is tert-butyl N-(2-bromofuran-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-bromofuran-3-yl)carbamate
PubChem CID53420002
Molecular FormulaC9H12BrNO3
Molecular Weight262.10 g/mol
Exact Mass261.00
IUPAC Nametert-butyl N-(2-bromofuran-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccoc1Br
InChIInChI=1S/C9H12BrNO3/c1-9(2,3)14-8(12)11-6-4-5-13-7(6)10/h4-5H,1-3H3,(H,11,12)
InChIKeyGMFDRRLTEWNSRW-UHFFFAOYSA-N
XLogP3.39
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-bromofuran-3-yl)carbamate?
The IUPAC name of tert-butyl N-(2-bromofuran-3-yl)carbamate (CID 53420002) is tert-butyl N-(2-bromofuran-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-bromofuran-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-bromofuran-3-yl)carbamate is CC(C)(C)OC(=O)Nc1ccoc1Br.
What is the InChIKey of tert-butyl N-(2-bromofuran-3-yl)carbamate?
The InChIKey is GMFDRRLTEWNSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO3/c1-9(2,3)14-8(12)11-6-4-5-13-7(6)10/h4-5H,1-3H3,(H,11,12).
What are the key properties of tert-butyl N-(2-bromofuran-3-yl)carbamate?
tert-butyl N-(2-bromofuran-3-yl)carbamate has a molecular weight of 262.10 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-bromofuran-3-yl)carbamate is sourced from PubChem (CID 53420002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).