2-[(5-bromofuran-2-yl)methoxy]-5-fluorobenzoic acid

C12H8BrFO4 — CID 113281408

IUPAC2-[(5-bromofuran-2-yl)methoxy]-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1OCc1ccc(Br)o1
InChIInChI=1S/C12H8BrFO4/c13-11-4-2-8(18-11)6-17-10-3-1-7(14)5-9(10)12(15)16/h1-5H,6H2,(H,15,16)
InChIKeyIMJSDNXNXWSROS-UHFFFAOYSA-N
MW315.09 g/mol
LogP3.46
Rot. Bonds4

About 2-[(5-bromofuran-2-yl)methoxy]-5-fluorobenzoic acid

2-[(5-bromofuran-2-yl)methoxy]-5-fluorobenzoic acid (PubChem CID 113281408) has the molecular formula C12H8BrFO4 and a molecular weight of 315.09 g/mol. Its IUPAC name is 2-[(5-bromofuran-2-yl)methoxy]-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(5-bromofuran-2-yl)methoxy]-5-fluorobenzoic acid
PubChem CID113281408
Molecular FormulaC12H8BrFO4
Molecular Weight315.09 g/mol
Exact Mass313.96
IUPAC Name2-[(5-bromofuran-2-yl)methoxy]-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1OCc1ccc(Br)o1
InChIInChI=1S/C12H8BrFO4/c13-11-4-2-8(18-11)6-17-10-3-1-7(14)5-9(10)12(15)16/h1-5H,6H2,(H,15,16)
InChIKeyIMJSDNXNXWSROS-UHFFFAOYSA-N
XLogP3.46
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.09
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromofuran-2-yl)methoxy]benzoic acid
CID 43143148
2-[(5-bromofuran-2-yl)methoxy]-5-chlorobenzoic acid
CID 61379285
3-[(5-bromofuran-2-yl)methoxy]pyridine-4-carboxylic acid
CID 81445559
2-(carboxymethoxy)-5-fluorobenzoic acid
CID 13013035
5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 113281422
2-[(2-bromo-4-fluorophenoxy)methyl]-5-fluorobenzoic acid
CID 63292656
2-[(5-bromo-2-pyridinyl)methoxy]-5-fluorobenzoic acid
CID 113454048
2-[(2,6-dichlorophenyl)methoxy]-5-fluorobenzoic acid
CID 115298074
2-[(3-bromo-4-methoxyphenyl)methoxy]-5-fluorobenzoic acid
CID 115297973
methyl 5-[(2-acetyl-4-fluorophenoxy)methyl]furan-2-carboxylate
CID 112787676
5-fluoro-2-prop-2-enoxybenzoic acid
CID 63674181
5-fluoro-2-[(1-methylimidazol-2-yl)methoxy]benzoic acid
CID 71741821

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromofuran-2-yl)methoxy]-5-fluorobenzoic acid?
The IUPAC name of 2-[(5-bromofuran-2-yl)methoxy]-5-fluorobenzoic acid (CID 113281408) is 2-[(5-bromofuran-2-yl)methoxy]-5-fluorobenzoic acid.
What is the SMILES notation for 2-[(5-bromofuran-2-yl)methoxy]-5-fluorobenzoic acid?
The canonical SMILES for 2-[(5-bromofuran-2-yl)methoxy]-5-fluorobenzoic acid is O=C(O)c1cc(F)ccc1OCc1ccc(Br)o1.
What is the InChIKey of 2-[(5-bromofuran-2-yl)methoxy]-5-fluorobenzoic acid?
The InChIKey is IMJSDNXNXWSROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFO4/c13-11-4-2-8(18-11)6-17-10-3-1-7(14)5-9(10)12(15)16/h1-5H,6H2,(H,15,16).
What are the key properties of 2-[(5-bromofuran-2-yl)methoxy]-5-fluorobenzoic acid?
2-[(5-bromofuran-2-yl)methoxy]-5-fluorobenzoic acid has a molecular weight of 315.09 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromofuran-2-yl)methoxy]-5-fluorobenzoic acid is sourced from PubChem (CID 113281408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).