2-[(3-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid

C12H8ClFO4 — CID 43477550

IUPAC2-[(3-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1COc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H8ClFO4/c13-9-5-7(1-2-10(9)14)18-6-11-8(12(15)16)3-4-17-11/h1-5H,6H2,(H,15,16)
InChIKeySGICTQWGBFUDTM-UHFFFAOYSA-N
MW270.64 g/mol
LogP3.35
Rot. Bonds4

About 2-[(3-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid

2-[(3-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid (PubChem CID 43477550) has the molecular formula C12H8ClFO4 and a molecular weight of 270.64 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid
PubChem CID43477550
Molecular FormulaC12H8ClFO4
Molecular Weight270.64 g/mol
Exact Mass270.01
IUPAC Name2-[(3-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1COc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H8ClFO4/c13-9-5-7(1-2-10(9)14)18-6-11-8(12(15)16)3-4-17-11/h1-5H,6H2,(H,15,16)
InChIKeySGICTQWGBFUDTM-UHFFFAOYSA-N
XLogP3.35
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.64
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-dichlorophenoxy)methyl]furan-3-carboxylic acid
CID 43419560
2-[(2-bromo-4-chlorophenoxy)methyl]furan-3-carboxylic acid
CID 43394473
2-[(4-carboxyphenoxy)methyl]furan-3-carboxylic acid
CID 823830
2-[(4-bromo-3-methylphenoxy)methyl]furan-3-carboxylic acid
CID 83133234
2-[(3-bromo-5-fluorophenoxy)methyl]furan-3-carboxylic acid
CID 81322665
2-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-3-carboxylic acid
CID 43477473
2-[(4-acetylphenoxy)methyl]furan-3-carboxylic acid
CID 43419529
2-[(4-propylphenoxy)methyl]furan-3-carboxylic acid
CID 62550489
4-[(3-chloro-4-fluorophenoxy)methyl]-3-fluorobenzoic acid
CID 63879027
2-[(3-methyl-4-nitrophenoxy)methyl]furan-3-carboxylic acid
CID 43394487
3-[(3,4-difluorophenoxy)methyl]furan-2-carboxylic acid
CID 43345521
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzoic acid
CID 11438700

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[(3-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid (CID 43477550) is 2-[(3-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[(3-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid is O=C(O)c1ccoc1COc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid?
The InChIKey is SGICTQWGBFUDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFO4/c13-9-5-7(1-2-10(9)14)18-6-11-8(12(15)16)3-4-17-11/h1-5H,6H2,(H,15,16).
What are the key properties of 2-[(3-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid?
2-[(3-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid has a molecular weight of 270.64 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 43477550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).