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

C7H10F3NO2 — CID 24950986

IUPAC(2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCC[C@H](C(F)(F)F)N1
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5-3-1-2-4(11-5)6(12)13/h4-5,11H,1-3H2,(H,12,13)/t4-,5+/m0/s1
InChIKeyJZHYKAVGVXNSTD-CRCLSJGQSA-N
MW197.16 g/mol
LogP1.14
Rot. Bonds1

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

(2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid (PubChem CID 24950986) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid
PubChem CID24950986
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name(2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCC[C@H](C(F)(F)F)N1
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5-3-1-2-4(11-5)6(12)13/h4-5,11H,1-3H2,(H,12,13)/t4-,5+/m0/s1
InChIKeyJZHYKAVGVXNSTD-CRCLSJGQSA-N
XLogP1.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid (CID 24950986) is (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid is O=C(O)[C@@H]1CCC[C@H](C(F)(F)F)N1.
What is the InChIKey of (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid?
The InChIKey is JZHYKAVGVXNSTD-CRCLSJGQSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)5-3-1-2-4(11-5)6(12)13/h4-5,11H,1-3H2,(H,12,13)/t4-,5+/m0/s1.
What are the key properties of (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid?
(2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid has a molecular weight of 197.16 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 24950986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).