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

C7H4F3NO4 — CID 133055417

IUPAC5-carbamoyl-2-(trifluoromethyl)furan-3-carboxylic acid
SMILESNC(=O)c1cc(C(=O)O)c(C(F)(F)F)o1
InChIInChI=1S/C7H4F3NO4/c8-7(9,10)4-2(6(13)14)1-3(15-4)5(11)12/h1H,(H2,11,12)(H,13,14)
InChIKeyNCDGCCBBPPWEPM-UHFFFAOYSA-N
MW223.11 g/mol
LogP1.10
Rot. Bonds2

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

5-carbamoyl-2-(trifluoromethyl)furan-3-carboxylic acid (PubChem CID 133055417) has the molecular formula C7H4F3NO4 and a molecular weight of 223.11 g/mol. Its IUPAC name is 5-carbamoyl-2-(trifluoromethyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-carbamoyl-2-(trifluoromethyl)furan-3-carboxylic acid
PubChem CID133055417
Molecular FormulaC7H4F3NO4
Molecular Weight223.11 g/mol
Exact Mass223.01
IUPAC Name5-carbamoyl-2-(trifluoromethyl)furan-3-carboxylic acid
SMILESNC(=O)c1cc(C(=O)O)c(C(F)(F)F)o1
InChIInChI=1S/C7H4F3NO4/c8-7(9,10)4-2(6(13)14)1-3(15-4)5(11)12/h1H,(H2,11,12)(H,13,14)
InChIKeyNCDGCCBBPPWEPM-UHFFFAOYSA-N
XLogP1.10
TPSA93.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-carbamoyl-2-(trifluoromethyl)furan-3-carboxylic acid?
The IUPAC name of 5-carbamoyl-2-(trifluoromethyl)furan-3-carboxylic acid (CID 133055417) is 5-carbamoyl-2-(trifluoromethyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-carbamoyl-2-(trifluoromethyl)furan-3-carboxylic acid?
The canonical SMILES for 5-carbamoyl-2-(trifluoromethyl)furan-3-carboxylic acid is NC(=O)c1cc(C(=O)O)c(C(F)(F)F)o1.
What is the InChIKey of 5-carbamoyl-2-(trifluoromethyl)furan-3-carboxylic acid?
The InChIKey is NCDGCCBBPPWEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO4/c8-7(9,10)4-2(6(13)14)1-3(15-4)5(11)12/h1H,(H2,11,12)(H,13,14).
What are the key properties of 5-carbamoyl-2-(trifluoromethyl)furan-3-carboxylic acid?
5-carbamoyl-2-(trifluoromethyl)furan-3-carboxylic acid has a molecular weight of 223.11 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamoyl-2-(trifluoromethyl)furan-3-carboxylic acid is sourced from PubChem (CID 133055417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).