tert-butyl 5-bromofuran-2-carboxylate

C9H11BrO3 — CID 18788676

IUPACtert-butyl 5-bromofuran-2-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc(Br)o1
InChIInChI=1S/C9H11BrO3/c1-9(2,3)13-8(11)6-4-5-7(10)12-6/h4-5H,1-3H3
InChIKeyJFDAPDWITQSTRY-UHFFFAOYSA-N
MW247.09 g/mol
LogP3.00
Rot. Bonds1

About tert-butyl 5-bromofuran-2-carboxylate

tert-butyl 5-bromofuran-2-carboxylate (PubChem CID 18788676) has the molecular formula C9H11BrO3 and a molecular weight of 247.09 g/mol. Its IUPAC name is tert-butyl 5-bromofuran-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-bromofuran-2-carboxylate
PubChem CID18788676
Molecular FormulaC9H11BrO3
Molecular Weight247.09 g/mol
Exact Mass245.99
IUPAC Nametert-butyl 5-bromofuran-2-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc(Br)o1
InChIInChI=1S/C9H11BrO3/c1-9(2,3)13-8(11)6-4-5-7(10)12-6/h4-5H,1-3H3
InChIKeyJFDAPDWITQSTRY-UHFFFAOYSA-N
XLogP3.00
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-[(2-methylpropan-2-yl)oxycarbonyl]furan-2-yl]prop-2-enoic acid
CID 171136658
λ2-stannane;(2-methyl-2-phenylpropyl) 5-bromofuran-2-carboxylate
CID 175022019
6-(5-bromofuran-2-carbonyl)oxyhexyl 5-bromofuran-2-carboxylate
CID 4926795
1-(5-bromofuran-2-yl)propan-1-one
CID 14547080
tert-butyl 5-(bromomethyl)-1-benzofuran-2-carboxylate
CID 22102062
5-bromofuran-2-carboxylate
CID 4069229
1-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 39492865
tert-butyl 5-bromo-4-sulfamoylfuran-2-carboxylate
CID 65379816
1-(5-bromofuran-2-yl)-2,2,2-trifluoroethanone
CID 67324487
[2-[di(propan-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2390481
2-(5-bromofuran-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 104653465
2-[(5-bromofuran-2-carbonyl)amino]-2,3-dimethylbutanoic acid
CID 166201185

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-bromofuran-2-carboxylate?
The IUPAC name of tert-butyl 5-bromofuran-2-carboxylate (CID 18788676) is tert-butyl 5-bromofuran-2-carboxylate.
What is the SMILES notation for tert-butyl 5-bromofuran-2-carboxylate?
The canonical SMILES for tert-butyl 5-bromofuran-2-carboxylate is CC(C)(C)OC(=O)c1ccc(Br)o1.
What is the InChIKey of tert-butyl 5-bromofuran-2-carboxylate?
The InChIKey is JFDAPDWITQSTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO3/c1-9(2,3)13-8(11)6-4-5-7(10)12-6/h4-5H,1-3H3.
What are the key properties of tert-butyl 5-bromofuran-2-carboxylate?
tert-butyl 5-bromofuran-2-carboxylate has a molecular weight of 247.09 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-bromofuran-2-carboxylate is sourced from PubChem (CID 18788676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).