5-[4-(trifluoromethyl)phenoxy]furan-2-carboxylic acid

C12H7F3O4 — CID 62205648

IUPAC5-[4-(trifluoromethyl)phenoxy]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C12H7F3O4/c13-12(14,15)7-1-3-8(4-2-7)18-10-6-5-9(19-10)11(16)17/h1-6H,(H,16,17)
InChIKeyASQULLPWGXRGKH-UHFFFAOYSA-N
MW272.18 g/mol
LogP3.79
Rot. Bonds3

About 5-[4-(trifluoromethyl)phenoxy]furan-2-carboxylic acid

5-[4-(trifluoromethyl)phenoxy]furan-2-carboxylic acid (PubChem CID 62205648) has the molecular formula C12H7F3O4 and a molecular weight of 272.18 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)phenoxy]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)phenoxy]furan-2-carboxylic acid
PubChem CID62205648
Molecular FormulaC12H7F3O4
Molecular Weight272.18 g/mol
Exact Mass272.03
IUPAC Name5-[4-(trifluoromethyl)phenoxy]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C12H7F3O4/c13-12(14,15)7-1-3-8(4-2-7)18-10-6-5-9(19-10)11(16)17/h1-6H,(H,16,17)
InChIKeyASQULLPWGXRGKH-UHFFFAOYSA-N
XLogP3.79
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)phenoxy]furan-2-carboxylic acid?
The IUPAC name of 5-[4-(trifluoromethyl)phenoxy]furan-2-carboxylic acid (CID 62205648) is 5-[4-(trifluoromethyl)phenoxy]furan-2-carboxylic acid.
What is the SMILES notation for 5-[4-(trifluoromethyl)phenoxy]furan-2-carboxylic acid?
The canonical SMILES for 5-[4-(trifluoromethyl)phenoxy]furan-2-carboxylic acid is O=C(O)c1ccc(Oc2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 5-[4-(trifluoromethyl)phenoxy]furan-2-carboxylic acid?
The InChIKey is ASQULLPWGXRGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3O4/c13-12(14,15)7-1-3-8(4-2-7)18-10-6-5-9(19-10)11(16)17/h1-6H,(H,16,17).
What are the key properties of 5-[4-(trifluoromethyl)phenoxy]furan-2-carboxylic acid?
5-[4-(trifluoromethyl)phenoxy]furan-2-carboxylic acid has a molecular weight of 272.18 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)phenoxy]furan-2-carboxylic acid is sourced from PubChem (CID 62205648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).