5-[(2-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid

C12H8ClFO4 — CID 62267976

IUPAC5-[(2-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(COc2ccc(F)cc2Cl)c1
InChIInChI=1S/C12H8ClFO4/c13-10-4-8(14)1-2-11(10)18-6-9-3-7(5-17-9)12(15)16/h1-5H,6H2,(H,15,16)
InChIKeyMIDNNIZVQWNYRC-UHFFFAOYSA-N
MW270.64 g/mol
LogP3.35
Rot. Bonds4

About 5-[(2-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid

5-[(2-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid (PubChem CID 62267976) has the molecular formula C12H8ClFO4 and a molecular weight of 270.64 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid
PubChem CID62267976
Molecular FormulaC12H8ClFO4
Molecular Weight270.64 g/mol
Exact Mass270.01
IUPAC Name5-[(2-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(COc2ccc(F)cc2Cl)c1
InChIInChI=1S/C12H8ClFO4/c13-10-4-8(14)1-2-11(10)18-6-9-3-7(5-17-9)12(15)16/h1-5H,6H2,(H,15,16)
InChIKeyMIDNNIZVQWNYRC-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

5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 46738434
3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzoic acid
CID 60651644
5-[(2-ethylphenoxy)methyl]furan-3-carboxylic acid
CID 55055885
5-[(2-cyanophenoxy)methyl]furan-3-carboxylic acid
CID 62269373
5-[(3,5-dichlorophenoxy)methyl]furan-3-carboxylic acid
CID 55055887
5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carboxylic acid
CID 103288827
4-[(2-chloro-4-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 106698363
5-[(3-bromo-5-fluorophenoxy)methyl]furan-3-carboxylic acid
CID 81322366
5-[(3-chloro-4-cyanophenoxy)methyl]furan-3-carboxylic acid
CID 102723937
4-[(2-chloro-4-fluorophenoxy)methyl]benzamide
CID 27313029
5-[(4-fluorophenyl)methyl]furan-3-carboxylic acid;hydrobromide
CID 69141100
3-(2-chloro-4-fluorophenoxy)propanoic acid
CID 16778332

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(2-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid (CID 62267976) is 5-[(2-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(2-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(2-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid is O=C(O)c1coc(COc2ccc(F)cc2Cl)c1.
What is the InChIKey of 5-[(2-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid?
The InChIKey is MIDNNIZVQWNYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFO4/c13-10-4-8(14)1-2-11(10)18-6-9-3-7(5-17-9)12(15)16/h1-5H,6H2,(H,15,16).
What are the key properties of 5-[(2-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid?
5-[(2-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 5-[(2-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 62267976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).