1-(5,5,5-trifluoropentylcarbamoyl)cyclobutane-1-carboxylic acid

C11H16F3NO3 — CID 115521720

IUPAC1-(5,5,5-trifluoropentylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)NCCCCC(F)(F)F)CCC1
InChIInChI=1S/C11H16F3NO3/c12-11(13,14)6-1-2-7-15-8(16)10(9(17)18)4-3-5-10/h1-7H2,(H,15,16)(H,17,18)
InChIKeyUBSQAHLUWUQTRI-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.09
Rot. Bonds6

About 1-(5,5,5-trifluoropentylcarbamoyl)cyclobutane-1-carboxylic acid

1-(5,5,5-trifluoropentylcarbamoyl)cyclobutane-1-carboxylic acid (PubChem CID 115521720) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-(5,5,5-trifluoropentylcarbamoyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5,5,5-trifluoropentylcarbamoyl)cyclobutane-1-carboxylic acid
PubChem CID115521720
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name1-(5,5,5-trifluoropentylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)NCCCCC(F)(F)F)CCC1
InChIInChI=1S/C11H16F3NO3/c12-11(13,14)6-1-2-7-15-8(16)10(9(17)18)4-3-5-10/h1-7H2,(H,15,16)(H,17,18)
InChIKeyUBSQAHLUWUQTRI-UHFFFAOYSA-N
XLogP2.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5,5-trifluoropentylcarbamoyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(5,5,5-trifluoropentylcarbamoyl)cyclobutane-1-carboxylic acid (CID 115521720) is 1-(5,5,5-trifluoropentylcarbamoyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(5,5,5-trifluoropentylcarbamoyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(5,5,5-trifluoropentylcarbamoyl)cyclobutane-1-carboxylic acid is O=C(O)C1(C(=O)NCCCCC(F)(F)F)CCC1.
What is the InChIKey of 1-(5,5,5-trifluoropentylcarbamoyl)cyclobutane-1-carboxylic acid?
The InChIKey is UBSQAHLUWUQTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c12-11(13,14)6-1-2-7-15-8(16)10(9(17)18)4-3-5-10/h1-7H2,(H,15,16)(H,17,18).
What are the key properties of 1-(5,5,5-trifluoropentylcarbamoyl)cyclobutane-1-carboxylic acid?
1-(5,5,5-trifluoropentylcarbamoyl)cyclobutane-1-carboxylic acid has a molecular weight of 267.25 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5,5-trifluoropentylcarbamoyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115521720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).