(2,2,2-trifluoroacetyl) piperidine-1-carboxylate

C8H10F3NO3 — CID 87291791

IUPAC(2,2,2-trifluoroacetyl) piperidine-1-carboxylate
SMILESO=C(OC(=O)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)6(13)15-7(14)12-4-2-1-3-5-12/h1-5H2
InChIKeyCWBZMPAVYNOAHW-UHFFFAOYSA-N
MW225.17 g/mol
LogP1.70
Rot. Bonds

About (2,2,2-trifluoroacetyl) piperidine-1-carboxylate

(2,2,2-trifluoroacetyl) piperidine-1-carboxylate (PubChem CID 87291791) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is (2,2,2-trifluoroacetyl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(2,2,2-trifluoroacetyl) piperidine-1-carboxylate
PubChem CID87291791
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Name(2,2,2-trifluoroacetyl) piperidine-1-carboxylate
SMILESO=C(OC(=O)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)6(13)15-7(14)12-4-2-1-3-5-12/h1-5H2
InChIKeyCWBZMPAVYNOAHW-UHFFFAOYSA-N
XLogP1.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (2,2,2-trifluoroacetyl) piperidine-1-carboxylate?
The IUPAC name of (2,2,2-trifluoroacetyl) piperidine-1-carboxylate (CID 87291791) is (2,2,2-trifluoroacetyl) piperidine-1-carboxylate.
What is the SMILES notation for (2,2,2-trifluoroacetyl) piperidine-1-carboxylate?
The canonical SMILES for (2,2,2-trifluoroacetyl) piperidine-1-carboxylate is O=C(OC(=O)C(F)(F)F)N1CCCCC1.
What is the InChIKey of (2,2,2-trifluoroacetyl) piperidine-1-carboxylate?
The InChIKey is CWBZMPAVYNOAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3/c9-8(10,11)6(13)15-7(14)12-4-2-1-3-5-12/h1-5H2.
What are the key properties of (2,2,2-trifluoroacetyl) piperidine-1-carboxylate?
(2,2,2-trifluoroacetyl) piperidine-1-carboxylate has a molecular weight of 225.17 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,2-trifluoroacetyl) piperidine-1-carboxylate is sourced from PubChem (CID 87291791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).