furan-3-carboxamide;2,2,2-trifluoroacetic acid

C7H6F3NO4 — CID 162312485

IUPACfuran-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1ccoc1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H5NO2.C2HF3O2/c6-5(7)4-1-2-8-3-4;3-2(4,5)1(6)7/h1-3H,(H2,6,7);(H,6,7)
InChIKeyAQODNVBMXWKERL-UHFFFAOYSA-N
MW225.12 g/mol
LogP1.01
Rot. Bonds1

About furan-3-carboxamide;2,2,2-trifluoroacetic acid

furan-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 162312485) has the molecular formula C7H6F3NO4 and a molecular weight of 225.12 g/mol. Its IUPAC name is furan-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namefuran-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID162312485
Molecular FormulaC7H6F3NO4
Molecular Weight225.12 g/mol
Exact Mass225.02
IUPAC Namefuran-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1ccoc1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H5NO2.C2HF3O2/c6-5(7)4-1-2-8-3-4;3-2(4,5)1(6)7/h1-3H,(H2,6,7);(H,6,7)
InChIKeyAQODNVBMXWKERL-UHFFFAOYSA-N
XLogP1.01
TPSA93.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of furan-3-carboxamide;2,2,2-trifluoroacetic acid (CID 162312485) is furan-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for furan-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for furan-3-carboxamide;2,2,2-trifluoroacetic acid is NC(=O)c1ccoc1.O=C(O)C(F)(F)F.
What is the InChIKey of furan-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is AQODNVBMXWKERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2.C2HF3O2/c6-5(7)4-1-2-8-3-4;3-2(4,5)1(6)7/h1-3H,(H2,6,7);(H,6,7).
What are the key properties of furan-3-carboxamide;2,2,2-trifluoroacetic acid?
furan-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 225.12 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162312485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).