1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid

C11H14F3NO3 — CID 62096798

IUPAC1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)N(CC(F)(F)F)C2CC2)CCC1
InChIInChI=1S/C11H14F3NO3/c12-11(13,14)6-15(7-2-3-7)8(16)10(9(17)18)4-1-5-10/h7H,1-6H2,(H,17,18)
InChIKeyGYROACWVASSDSM-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.79
Rot. Bonds4

About 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid

1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 62096798) has the molecular formula C11H14F3NO3 and a molecular weight of 265.23 g/mol. Its IUPAC name is 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID62096798
Molecular FormulaC11H14F3NO3
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC Name1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)N(CC(F)(F)F)C2CC2)CCC1
InChIInChI=1S/C11H14F3NO3/c12-11(13,14)6-15(7-2-3-7)8(16)10(9(17)18)4-1-5-10/h7H,1-6H2,(H,17,18)
InChIKeyGYROACWVASSDSM-UHFFFAOYSA-N
XLogP1.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-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

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid (CID 62096798) is 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid is O=C(O)C1(C(=O)N(CC(F)(F)F)C2CC2)CCC1.
What is the InChIKey of 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is GYROACWVASSDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3/c12-11(13,14)6-15(7-2-3-7)8(16)10(9(17)18)4-1-5-10/h7H,1-6H2,(H,17,18).
What are the key properties of 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid?
1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 265.23 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 62096798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).