1-(2,2,2-trifluoroethylcarbamoyl)cyclobutane-1-carboxylic acid

C8H10F3NO3 — CID 62097289

IUPAC1-(2,2,2-trifluoroethylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)NCC(F)(F)F)CCC1
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)4-12-5(13)7(6(14)15)2-1-3-7/h1-4H2,(H,12,13)(H,14,15)
InChIKeyYQLUWLMVAXJMAP-UHFFFAOYSA-N
MW225.17 g/mol
LogP0.92
Rot. Bonds3

About 1-(2,2,2-trifluoroethylcarbamoyl)cyclobutane-1-carboxylic acid

1-(2,2,2-trifluoroethylcarbamoyl)cyclobutane-1-carboxylic acid (PubChem CID 62097289) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylcarbamoyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylcarbamoyl)cyclobutane-1-carboxylic acid
PubChem CID62097289
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Name1-(2,2,2-trifluoroethylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)NCC(F)(F)F)CCC1
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)4-12-5(13)7(6(14)15)2-1-3-7/h1-4H2,(H,12,13)(H,14,15)
InChIKeyYQLUWLMVAXJMAP-UHFFFAOYSA-N
XLogP0.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylcarbamoyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2,2,2-trifluoroethylcarbamoyl)cyclobutane-1-carboxylic acid (CID 62097289) is 1-(2,2,2-trifluoroethylcarbamoyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2,2,2-trifluoroethylcarbamoyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2,2,2-trifluoroethylcarbamoyl)cyclobutane-1-carboxylic acid is O=C(O)C1(C(=O)NCC(F)(F)F)CCC1.
What is the InChIKey of 1-(2,2,2-trifluoroethylcarbamoyl)cyclobutane-1-carboxylic acid?
The InChIKey is YQLUWLMVAXJMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3/c9-8(10,11)4-12-5(13)7(6(14)15)2-1-3-7/h1-4H2,(H,12,13)(H,14,15).
What are the key properties of 1-(2,2,2-trifluoroethylcarbamoyl)cyclobutane-1-carboxylic acid?
1-(2,2,2-trifluoroethylcarbamoyl)cyclobutane-1-carboxylic acid has a molecular weight of 225.17 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylcarbamoyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 62097289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).