3-fluoro-5-(trifluoromethyl)furan-2-carboxylic acid

C6H2F4O3 — CID 174619847

IUPAC3-fluoro-5-(trifluoromethyl)furan-2-carboxylic acid
SMILESO=C(O)c1oc(C(F)(F)F)cc1F
InChIInChI=1S/C6H2F4O3/c7-2-1-3(6(8,9)10)13-4(2)5(11)12/h1H,(H,11,12)
InChIKeyGYMGCFXKCCDOHK-UHFFFAOYSA-N
MW198.07 g/mol
LogP2.14
Rot. Bonds1

About 3-fluoro-5-(trifluoromethyl)furan-2-carboxylic acid

3-fluoro-5-(trifluoromethyl)furan-2-carboxylic acid (PubChem CID 174619847) has the molecular formula C6H2F4O3 and a molecular weight of 198.07 g/mol. Its IUPAC name is 3-fluoro-5-(trifluoromethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-5-(trifluoromethyl)furan-2-carboxylic acid
PubChem CID174619847
Molecular FormulaC6H2F4O3
Molecular Weight198.07 g/mol
Exact Mass197.99
IUPAC Name3-fluoro-5-(trifluoromethyl)furan-2-carboxylic acid
SMILESO=C(O)c1oc(C(F)(F)F)cc1F
InChIInChI=1S/C6H2F4O3/c7-2-1-3(6(8,9)10)13-4(2)5(11)12/h1H,(H,11,12)
InChIKeyGYMGCFXKCCDOHK-UHFFFAOYSA-N
XLogP2.14
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.07
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(trifluoromethyl)furan-2-carboxylic acid?
The IUPAC name of 3-fluoro-5-(trifluoromethyl)furan-2-carboxylic acid (CID 174619847) is 3-fluoro-5-(trifluoromethyl)furan-2-carboxylic acid.
What is the SMILES notation for 3-fluoro-5-(trifluoromethyl)furan-2-carboxylic acid?
The canonical SMILES for 3-fluoro-5-(trifluoromethyl)furan-2-carboxylic acid is O=C(O)c1oc(C(F)(F)F)cc1F.
What is the InChIKey of 3-fluoro-5-(trifluoromethyl)furan-2-carboxylic acid?
The InChIKey is GYMGCFXKCCDOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F4O3/c7-2-1-3(6(8,9)10)13-4(2)5(11)12/h1H,(H,11,12).
What are the key properties of 3-fluoro-5-(trifluoromethyl)furan-2-carboxylic acid?
3-fluoro-5-(trifluoromethyl)furan-2-carboxylic acid has a molecular weight of 198.07 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(trifluoromethyl)furan-2-carboxylic acid is sourced from PubChem (CID 174619847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).