(2R)-1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperidine-2-carboxylic acid

C11H16F3NO4 — CID 79034800

IUPAC(2R)-1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H16F3NO4/c12-11(13,14)7-19-6-4-9(16)15-5-2-1-3-8(15)10(17)18/h8H,1-7H2,(H,17,18)/t8-/m1/s1
InChIKeyUPTXGLKMRVFZBW-MRVPVSSYSA-N
MW283.25 g/mol
LogP1.42
Rot. Bonds5

About (2R)-1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperidine-2-carboxylic acid

(2R)-1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperidine-2-carboxylic acid (PubChem CID 79034800) has the molecular formula C11H16F3NO4 and a molecular weight of 283.25 g/mol. Its IUPAC name is (2R)-1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperidine-2-carboxylic acid
PubChem CID79034800
Molecular FormulaC11H16F3NO4
Molecular Weight283.25 g/mol
Exact Mass283.10
IUPAC Name(2R)-1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H16F3NO4/c12-11(13,14)7-19-6-4-9(16)15-5-2-1-3-8(15)10(17)18/h8H,1-7H2,(H,17,18)/t8-/m1/s1
InChIKeyUPTXGLKMRVFZBW-MRVPVSSYSA-N
XLogP1.42
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 ≤ 51.42
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 (2R)-1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperidine-2-carboxylic acid (CID 79034800) is (2R)-1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1C(=O)CCOCC(F)(F)F.
What is the InChIKey of (2R)-1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperidine-2-carboxylic acid?
The InChIKey is UPTXGLKMRVFZBW-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16F3NO4/c12-11(13,14)7-19-6-4-9(16)15-5-2-1-3-8(15)10(17)18/h8H,1-7H2,(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperidine-2-carboxylic acid?
(2R)-1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperidine-2-carboxylic acid has a molecular weight of 283.25 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 79034800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).