5-[(3-bromo-5-fluorophenoxy)methyl]furan-3-carboxylic acid

C12H8BrFO4 — CID 81322366

IUPAC5-[(3-bromo-5-fluorophenoxy)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(COc2cc(F)cc(Br)c2)c1
InChIInChI=1S/C12H8BrFO4/c13-8-2-9(14)4-10(3-8)18-6-11-1-7(5-17-11)12(15)16/h1-5H,6H2,(H,15,16)
InChIKeyRFIKPGVFVHVIHS-UHFFFAOYSA-N
MW315.09 g/mol
LogP3.46
Rot. Bonds4

About 5-[(3-bromo-5-fluorophenoxy)methyl]furan-3-carboxylic acid

5-[(3-bromo-5-fluorophenoxy)methyl]furan-3-carboxylic acid (PubChem CID 81322366) has the molecular formula C12H8BrFO4 and a molecular weight of 315.09 g/mol. Its IUPAC name is 5-[(3-bromo-5-fluorophenoxy)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-bromo-5-fluorophenoxy)methyl]furan-3-carboxylic acid
PubChem CID81322366
Molecular FormulaC12H8BrFO4
Molecular Weight315.09 g/mol
Exact Mass313.96
IUPAC Name5-[(3-bromo-5-fluorophenoxy)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(COc2cc(F)cc(Br)c2)c1
InChIInChI=1S/C12H8BrFO4/c13-8-2-9(14)4-10(3-8)18-6-11-1-7(5-17-11)12(15)16/h1-5H,6H2,(H,15,16)
InChIKeyRFIKPGVFVHVIHS-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

Analyze 5-[(3-bromo-5-fluorophenoxy)methyl]furan-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-bromo-5-nitrophenoxy)methyl]furan-3-carboxylic acid
CID 103588395
5-[(3,5-dichlorophenoxy)methyl]furan-3-carboxylic acid
CID 55055887
2-[(3-bromo-5-fluorophenoxy)methyl]furan-3-carboxylic acid
CID 81322665
4-[2-(3-bromo-5-fluorophenoxy)ethoxy]benzoic acid
CID 81313770
5-[(4-ethoxyphenoxy)methyl]furan-3-carboxylic acid
CID 62268499
5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carboxylic acid
CID 103288827
azane;5-[(4-methoxyphenoxy)methyl]furan-3-carboxylic acid
CID 131666805
2-(3-bromo-5-fluorophenoxy)acetic acid
CID 81321991
5-[(3,4-dimethylphenoxy)methyl]furan-3-carboxylic acid
CID 62269914
5-[(2-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid
CID 62267976
2-amino-6-[(3-bromo-5-fluorophenoxy)methyl]benzoic acid
CID 104825543
2-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid
CID 115460808

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-5-fluorophenoxy)methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(3-bromo-5-fluorophenoxy)methyl]furan-3-carboxylic acid (CID 81322366) is 5-[(3-bromo-5-fluorophenoxy)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(3-bromo-5-fluorophenoxy)methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(3-bromo-5-fluorophenoxy)methyl]furan-3-carboxylic acid is O=C(O)c1coc(COc2cc(F)cc(Br)c2)c1.
What is the InChIKey of 5-[(3-bromo-5-fluorophenoxy)methyl]furan-3-carboxylic acid?
The InChIKey is RFIKPGVFVHVIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFO4/c13-8-2-9(14)4-10(3-8)18-6-11-1-7(5-17-11)12(15)16/h1-5H,6H2,(H,15,16).
What are the key properties of 5-[(3-bromo-5-fluorophenoxy)methyl]furan-3-carboxylic acid?
5-[(3-bromo-5-fluorophenoxy)methyl]furan-3-carboxylic 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 5-[(3-bromo-5-fluorophenoxy)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 81322366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).