2-ethyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-carboxylic acid

C10H10F3NO4 — CID 120821091

IUPAC2-ethyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NCC(F)(F)F)cc1C(=O)O
InChIInChI=1S/C10H10F3NO4/c1-2-6-5(9(16)17)3-7(18-6)8(15)14-4-10(11,12)13/h3H,2,4H2,1H3,(H,14,15)(H,16,17)
InChIKeyRTZVPHOVCVISNV-UHFFFAOYSA-N
MW265.19 g/mol
LogP1.83
Rot. Bonds4

About 2-ethyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-carboxylic acid

2-ethyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-carboxylic acid (PubChem CID 120821091) has the molecular formula C10H10F3NO4 and a molecular weight of 265.19 g/mol. Its IUPAC name is 2-ethyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-carboxylic acid
PubChem CID120821091
Molecular FormulaC10H10F3NO4
Molecular Weight265.19 g/mol
Exact Mass265.06
IUPAC Name2-ethyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NCC(F)(F)F)cc1C(=O)O
InChIInChI=1S/C10H10F3NO4/c1-2-6-5(9(16)17)3-7(18-6)8(15)14-4-10(11,12)13/h3H,2,4H2,1H3,(H,14,15)(H,16,17)
InChIKeyRTZVPHOVCVISNV-UHFFFAOYSA-N
XLogP1.83
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2,2-dimethyl-3-phenylpropyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821950
2-ethyl-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]furan-3-carboxylic acid
CID 120822190
2-ethyl-5-[[2-methyl-2-(2-methylphenyl)propyl]carbamoyl]furan-3-carboxylic acid
CID 120821493
2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid
CID 120820543
2-ethyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]furan-3-carboxylic acid
CID 120821934
2-ethyl-5-[(1-ethylcyclobutyl)carbamoyl]furan-3-carboxylic acid
CID 120822379
2-ethyl-5-(2-methylsulfanylpropylcarbamoyl)furan-3-carboxylic acid
CID 120822640
2-ethyl-5-[2-[4-(trifluoromethyl)phenoxy]ethylcarbamoyl]furan-3-carboxylic acid
CID 120821253
2-ethyl-5-[2-[2-(trifluoromethyl)phenoxy]ethylcarbamoyl]furan-3-carboxylic acid
CID 120821740
2-ethyl-5-[(4-methoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120822184
2-ethyl-5-[(1,1,1-trifluoro-3-phenylpropan-2-yl)carbamoyl]furan-3-carboxylic acid
CID 120822408
2-ethyl-5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120820753

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-carboxylic acid (CID 120821091) is 2-ethyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-carboxylic acid is CCc1oc(C(=O)NCC(F)(F)F)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-carboxylic acid?
The InChIKey is RTZVPHOVCVISNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4/c1-2-6-5(9(16)17)3-7(18-6)8(15)14-4-10(11,12)13/h3H,2,4H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-ethyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-carboxylic acid?
2-ethyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-carboxylic acid has a molecular weight of 265.19 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-carboxylic acid is sourced from PubChem (CID 120821091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).