5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxylic acid

C8H7F3O4 — CID 940410

IUPAC5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(COCC(F)(F)F)o1
InChIInChI=1S/C8H7F3O4/c9-8(10,11)4-14-3-5-1-2-6(15-5)7(12)13/h1-2H,3-4H2,(H,12,13)
InChIKeyVASBYXQACGRWKI-UHFFFAOYSA-N
MW224.13 g/mol
LogP2.06
Rot. Bonds4

About 5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxylic acid

5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxylic acid (PubChem CID 940410) has the molecular formula C8H7F3O4 and a molecular weight of 224.13 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxylic acid
PubChem CID940410
Molecular FormulaC8H7F3O4
Molecular Weight224.13 g/mol
Exact Mass224.03
IUPAC Name5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(COCC(F)(F)F)o1
InChIInChI=1S/C8H7F3O4/c9-8(10,11)4-14-3-5-1-2-6(15-5)7(12)13/h1-2H,3-4H2,(H,12,13)
InChIKeyVASBYXQACGRWKI-UHFFFAOYSA-N
XLogP2.06
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxylic acid?
The IUPAC name of 5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxylic acid (CID 940410) is 5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxylic acid is O=C(O)c1ccc(COCC(F)(F)F)o1.
What is the InChIKey of 5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxylic acid?
The InChIKey is VASBYXQACGRWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O4/c9-8(10,11)4-14-3-5-1-2-6(15-5)7(12)13/h1-2H,3-4H2,(H,12,13).
What are the key properties of 5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxylic acid?
5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxylic acid has a molecular weight of 224.13 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethoxymethyl)furan-2-carboxylic acid is sourced from PubChem (CID 940410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).