1-[2-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carboxylic acid

C11H16F3NO4 — CID 82956537

IUPAC1-[2-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)COCCC(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO4/c12-11(13,14)3-6-19-7-9(16)15-4-1-8(2-5-15)10(17)18/h8H,1-7H2,(H,17,18)
InChIKeyREWXOHTZHPDUGA-UHFFFAOYSA-N
MW283.25 g/mol
LogP1.28
Rot. Bonds5

About 1-[2-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carboxylic acid

1-[2-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carboxylic acid (PubChem CID 82956537) has the molecular formula C11H16F3NO4 and a molecular weight of 283.25 g/mol. Its IUPAC name is 1-[2-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carboxylic acid
PubChem CID82956537
Molecular FormulaC11H16F3NO4
Molecular Weight283.25 g/mol
Exact Mass283.10
IUPAC Name1-[2-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)COCCC(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO4/c12-11(13,14)3-6-19-7-9(16)15-4-1-8(2-5-15)10(17)18/h8H,1-7H2,(H,17,18)
InChIKeyREWXOHTZHPDUGA-UHFFFAOYSA-N
XLogP1.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carboxylic acid (CID 82956537) is 1-[2-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)COCCC(F)(F)F)CC1.
What is the InChIKey of 1-[2-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carboxylic acid?
The InChIKey is REWXOHTZHPDUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO4/c12-11(13,14)3-6-19-7-9(16)15-4-1-8(2-5-15)10(17)18/h8H,1-7H2,(H,17,18).
What are the key properties of 1-[2-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carboxylic acid?
1-[2-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carboxylic acid has a molecular weight of 283.25 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3,3-trifluoropropoxy)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 82956537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).