4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid

C10H16F3NO3 — CID 63129852

IUPAC4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1(CCOCC(F)(F)F)CCNCC1
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)7-17-6-3-9(8(15)16)1-4-14-5-2-9/h14H,1-7H2,(H,15,16)
InChIKeySZDIFTLGKYQTAL-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.41
Rot. Bonds5

About 4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid

4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid (PubChem CID 63129852) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid
PubChem CID63129852
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1(CCOCC(F)(F)F)CCNCC1
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)7-17-6-3-9(8(15)16)1-4-14-5-2-9/h14H,1-7H2,(H,15,16)
InChIKeySZDIFTLGKYQTAL-UHFFFAOYSA-N
XLogP1.41
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
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 4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid (CID 63129852) is 4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid is O=C(O)C1(CCOCC(F)(F)F)CCNCC1.
What is the InChIKey of 4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid?
The InChIKey is SZDIFTLGKYQTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c11-10(12,13)7-17-6-3-9(8(15)16)1-4-14-5-2-9/h14H,1-7H2,(H,15,16).
What are the key properties of 4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid?
4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid has a molecular weight of 255.24 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63129852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).