ethyl 1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxylate

C11H16F3NO3 — CID 43423508

IUPACethyl 1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CC(F)(F)F)C1
InChIInChI=1S/C11H16F3NO3/c1-2-18-10(17)8-4-3-5-15(7-8)9(16)6-11(12,13)14/h8H,2-7H2,1H3
InChIKeyPZKPCVNLUWXHTP-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.74
Rot. Bonds3

About ethyl 1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxylate

ethyl 1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxylate (PubChem CID 43423508) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is ethyl 1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxylate
PubChem CID43423508
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Nameethyl 1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CC(F)(F)F)C1
InChIInChI=1S/C11H16F3NO3/c1-2-18-10(17)8-4-3-5-15(7-8)9(16)6-11(12,13)14/h8H,2-7H2,1H3
InChIKeyPZKPCVNLUWXHTP-UHFFFAOYSA-N
XLogP1.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxylate (CID 43423508) is ethyl 1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CC(F)(F)F)C1.
What is the InChIKey of ethyl 1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxylate?
The InChIKey is PZKPCVNLUWXHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-2-18-10(17)8-4-3-5-15(7-8)9(16)6-11(12,13)14/h8H,2-7H2,1H3.
What are the key properties of ethyl 1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxylate?
ethyl 1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxylate has a molecular weight of 267.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxylate is sourced from PubChem (CID 43423508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).