(2S,6R)-4-oxo-6-(trifluoromethyl)piperidine-2-carboxylic acid

C7H8F3NO3 — CID 135011772

IUPAC(2S,6R)-4-oxo-6-(trifluoromethyl)piperidine-2-carboxylic acid
SMILESO=C1C[C@@H](C(=O)O)N[C@@H](C(F)(F)F)C1
InChIInChI=1S/C7H8F3NO3/c8-7(9,10)5-2-3(12)1-4(11-5)6(13)14/h4-5,11H,1-2H2,(H,13,14)/t4-,5+/m0/s1
InChIKeyYVFGTKSGFPDGIZ-CRCLSJGQSA-N
MW211.14 g/mol
LogP0.32
Rot. Bonds1

About (2S,6R)-4-oxo-6-(trifluoromethyl)piperidine-2-carboxylic acid

(2S,6R)-4-oxo-6-(trifluoromethyl)piperidine-2-carboxylic acid (PubChem CID 135011772) has the molecular formula C7H8F3NO3 and a molecular weight of 211.14 g/mol. Its IUPAC name is (2S,6R)-4-oxo-6-(trifluoromethyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,6R)-4-oxo-6-(trifluoromethyl)piperidine-2-carboxylic acid
PubChem CID135011772
Molecular FormulaC7H8F3NO3
Molecular Weight211.14 g/mol
Exact Mass211.05
IUPAC Name(2S,6R)-4-oxo-6-(trifluoromethyl)piperidine-2-carboxylic acid
SMILESO=C1C[C@@H](C(=O)O)N[C@@H](C(F)(F)F)C1
InChIInChI=1S/C7H8F3NO3/c8-7(9,10)5-2-3(12)1-4(11-5)6(13)14/h4-5,11H,1-2H2,(H,13,14)/t4-,5+/m0/s1
InChIKeyYVFGTKSGFPDGIZ-CRCLSJGQSA-N
XLogP0.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Piperidinedicarboxylic acid
CID 557515
NoName_3265
CID 3815667
(2R,6S)-piperidine-2,6-dicarboxylic acid
CID 10942932
2,2-Difluoro-2-(piperidin-2-yl)acetic acid hydrochloride
CID 86775561
4,4-Difluoropiperidine-2-carboxylic acid hydrochloride
CID 137468597
(S)-4-Oxopiperidine-2-carboxylic acid
CID 11062499
4,4-Difluoropiperidine-2-carboxylic acid
CID 75088982
3,3-Difluoropiperidine-2-carboxylic acid
CID 91322640
(2S,6S)-6-methylpiperidine-2-carboxylic acid
CID 1794835
(2S,6S)-piperidine-2,6-dicarboxylic acid
CID 10888395
rac-(2R,6S)-6-(trifluoromethyl)piperidine-2-carboxylic acid hydrochloride
CID 154577224
(2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid
CID 24950986

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-oxo-6-(trifluoromethyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S,6R)-4-oxo-6-(trifluoromethyl)piperidine-2-carboxylic acid (CID 135011772) is (2S,6R)-4-oxo-6-(trifluoromethyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S,6R)-4-oxo-6-(trifluoromethyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S,6R)-4-oxo-6-(trifluoromethyl)piperidine-2-carboxylic acid is O=C1C[C@@H](C(=O)O)N[C@@H](C(F)(F)F)C1.
What is the InChIKey of (2S,6R)-4-oxo-6-(trifluoromethyl)piperidine-2-carboxylic acid?
The InChIKey is YVFGTKSGFPDGIZ-CRCLSJGQSA-N. The full InChI is InChI=1S/C7H8F3NO3/c8-7(9,10)5-2-3(12)1-4(11-5)6(13)14/h4-5,11H,1-2H2,(H,13,14)/t4-,5+/m0/s1.
What are the key properties of (2S,6R)-4-oxo-6-(trifluoromethyl)piperidine-2-carboxylic acid?
(2S,6R)-4-oxo-6-(trifluoromethyl)piperidine-2-carboxylic acid has a molecular weight of 211.14 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-oxo-6-(trifluoromethyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 135011772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).