5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carboxylic acid

C12H6F4O4 — CID 103288827

IUPAC5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(COc2c(F)c(F)cc(F)c2F)c1
InChIInChI=1S/C12H6F4O4/c13-7-2-8(14)10(16)11(9(7)15)20-4-6-1-5(3-19-6)12(17)18/h1-3H,4H2,(H,17,18)
InChIKeyMENDPKQRTXRZSZ-UHFFFAOYSA-N
MW290.17 g/mol
LogP3.11
Rot. Bonds4

About 5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carboxylic acid

5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carboxylic acid (PubChem CID 103288827) has the molecular formula C12H6F4O4 and a molecular weight of 290.17 g/mol. Its IUPAC name is 5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carboxylic acid
PubChem CID103288827
Molecular FormulaC12H6F4O4
Molecular Weight290.17 g/mol
Exact Mass290.02
IUPAC Name5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(COc2c(F)c(F)cc(F)c2F)c1
InChIInChI=1S/C12H6F4O4/c13-7-2-8(14)10(16)11(9(7)15)20-4-6-1-5(3-19-6)12(17)18/h1-3H,4H2,(H,17,18)
InChIKeyMENDPKQRTXRZSZ-UHFFFAOYSA-N
XLogP3.11
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.17
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-Hydroxymethylfuran-3-carboxylic acid
CID 15422126
Furan-2,3-dicarboxylic Acid
CID 819550
Furan-2,4-dicarboxylic acid
CID 22280328
5-((4-Methoxyphenoxy)methyl)-2-methylfuran-3-carboxylic acid
CID 2436052
2-[(4-Carboxyphenoxy)methyl]furan-3-carboxylic acid
CID 823830
Benzoic acid, 2-hydroxy-, 2-furanylmethyl ester
CID 213099
Methyl 5-(hydroxymethyl)-2-methyl-3-furoate
CID 9106567
2-[(4-Methylphenoxy)methyl]-3-furoic acid
CID 761102
Dimethyl furan-2,4-dicarboxylate
CID 592845
5-(Methoxycarbonyl)furan-3-carboxylic acid
CID 20277542
5-Formylfuran-3-carboxylic acid
CID 22323783
2-[(3-Formylphenoxy)methyl]furan-3-carboxylic acid
CID 43477569

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carboxylic acid (CID 103288827) is 5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carboxylic acid is O=C(O)c1coc(COc2c(F)c(F)cc(F)c2F)c1.
What is the InChIKey of 5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carboxylic acid?
The InChIKey is MENDPKQRTXRZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F4O4/c13-7-2-8(14)10(16)11(9(7)15)20-4-6-1-5(3-19-6)12(17)18/h1-3H,4H2,(H,17,18).
What are the key properties of 5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carboxylic acid?
5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carboxylic acid has a molecular weight of 290.17 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 103288827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).