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

C11H16F3NO3 — CID 62096473

IUPAC1-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCCCN(CC(F)(F)F)C(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C11H16F3NO3/c1-2-6-15(7-11(12,13)14)8(16)10(9(17)18)4-3-5-10/h2-7H2,1H3,(H,17,18)
InChIKeyQQGFRXQVRFRDQD-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.04
Rot. Bonds5

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

1-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 62096473) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID62096473
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name1-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCCCN(CC(F)(F)F)C(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C11H16F3NO3/c1-2-6-15(7-11(12,13)14)8(16)10(9(17)18)4-3-5-10/h2-7H2,1H3,(H,17,18)
InChIKeyQQGFRXQVRFRDQD-UHFFFAOYSA-N
XLogP2.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[propyl(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

Related Compounds

1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62096447
1-(diethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62097273
1-[2-(dimethylamino)ethyl-propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62097169
N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60756977
3-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64893368
N-propyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710571
2-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60948916
1-carbamothioyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 107479788
1-[butyl(ethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62097468
3-methyl-1-[propyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63147172
1-amino-3-ethoxy-2,2-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide
CID 114828630
1-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60948403

Frequently Asked Questions

What is the IUPAC name of 1-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid (CID 62096473) is 1-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid is CCCN(CC(F)(F)F)C(=O)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is QQGFRXQVRFRDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-2-6-15(7-11(12,13)14)8(16)10(9(17)18)4-3-5-10/h2-7H2,1H3,(H,17,18).
What are the key properties of 1-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid?
1-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 267.25 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 62096473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).