(2S,4S)-2-(trifluoromethyl)piperidine-4-carboxylic acid

C7H10F3NO2 — CID 124547925

IUPAC(2S,4S)-2-(trifluoromethyl)piperidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CCN[C@H](C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5-3-4(6(12)13)1-2-11-5/h4-5,11H,1-3H2,(H,12,13)/t4-,5-/m0/s1
InChIKeyXSPFXDQSRCIVGC-WHFBIAKZSA-N
MW197.16 g/mol
LogP1.00
Rot. Bonds1

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

(2S,4S)-2-(trifluoromethyl)piperidine-4-carboxylic acid (PubChem CID 124547925) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is (2S,4S)-2-(trifluoromethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-2-(trifluoromethyl)piperidine-4-carboxylic acid
PubChem CID124547925
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name(2S,4S)-2-(trifluoromethyl)piperidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CCN[C@H](C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5-3-4(6(12)13)1-2-11-5/h4-5,11H,1-3H2,(H,12,13)/t4-,5-/m0/s1
InChIKeyXSPFXDQSRCIVGC-WHFBIAKZSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-methyl-2-(trifluoromethyl)piperidine
CID 161454628
2-(trifluoromethyl)azetidine;hydrochloride
CID 119031729
2-cyclopentylpiperidine-4-carboxylic acid
CID 82398754
2-propan-2-ylpiperidine-4-carboxylic acid
CID 82412056
2-carbamoylpiperidine-4-carboxylic acid;hydrochloride
CID 71756318
2-[3,5-difluoro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid;hydrochloride
CID 140555412
(2S,3R)-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 54594755
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
2,3,3a,4,5,6,7,7a-octahydro-1H-indole-5-carboxylic acid
CID 83816131
(3aR,6R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-6-carboxylic acid
CID 100654235
2-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid;hydrochloride
CID 66731710
2-[2-methyl-4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid;hydrochloride
CID 140555403

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(trifluoromethyl)piperidine-4-carboxylic acid?
The IUPAC name of (2S,4S)-2-(trifluoromethyl)piperidine-4-carboxylic acid (CID 124547925) is (2S,4S)-2-(trifluoromethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for (2S,4S)-2-(trifluoromethyl)piperidine-4-carboxylic acid?
The canonical SMILES for (2S,4S)-2-(trifluoromethyl)piperidine-4-carboxylic acid is O=C(O)[C@H]1CCN[C@H](C(F)(F)F)C1.
What is the InChIKey of (2S,4S)-2-(trifluoromethyl)piperidine-4-carboxylic acid?
The InChIKey is XSPFXDQSRCIVGC-WHFBIAKZSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)5-3-4(6(12)13)1-2-11-5/h4-5,11H,1-3H2,(H,12,13)/t4-,5-/m0/s1.
What are the key properties of (2S,4S)-2-(trifluoromethyl)piperidine-4-carboxylic acid?
(2S,4S)-2-(trifluoromethyl)piperidine-4-carboxylic acid has a molecular weight of 197.16 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(trifluoromethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 124547925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).