(2S,3R,4R,5S)-2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol

C14H23F4NO3 — CID 155286634

IUPAC(2S,3R,4R,5S)-2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
SMILESO[C@H]1[C@H](O)[C@@H](O)CN(CC2CCC(C(F)(F)F)CC2)[C@@H]1CF
InChIInChI=1S/C14H23F4NO3/c15-5-10-12(21)13(22)11(20)7-19(10)6-8-1-3-9(4-2-8)14(16,17)18/h8-13,20-22H,1-7H2/t8?,9?,10-,11+,12-,13-/m1/s1
InChIKeyAADCYLCMHOXUEH-PSYSUJRZSA-N
MW329.33 g/mol
LogP1.09
Rot. Bonds3

About (2S,3R,4R,5S)-2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol

(2S,3R,4R,5S)-2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol (PubChem CID 155286634) has the molecular formula C14H23F4NO3 and a molecular weight of 329.33 g/mol. Its IUPAC name is (2S,3R,4R,5S)-2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5S)-2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
PubChem CID155286634
Molecular FormulaC14H23F4NO3
Molecular Weight329.33 g/mol
Exact Mass329.16
IUPAC Name(2S,3R,4R,5S)-2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
SMILESO[C@H]1[C@H](O)[C@@H](O)CN(CC2CCC(C(F)(F)F)CC2)[C@@H]1CF
InChIInChI=1S/C14H23F4NO3/c15-5-10-12(21)13(22)11(20)7-19(10)6-8-1-3-9(4-2-8)14(16,17)18/h8-13,20-22H,1-7H2/t8?,9?,10-,11+,12-,13-/m1/s1
InChIKeyAADCYLCMHOXUEH-PSYSUJRZSA-N
XLogP1.09
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S)-2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5S)-2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol (CID 155286634) is (2S,3R,4R,5S)-2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5S)-2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5S)-2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol is O[C@H]1[C@H](O)[C@@H](O)CN(CC2CCC(C(F)(F)F)CC2)[C@@H]1CF.
What is the InChIKey of (2S,3R,4R,5S)-2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol?
The InChIKey is AADCYLCMHOXUEH-PSYSUJRZSA-N. The full InChI is InChI=1S/C14H23F4NO3/c15-5-10-12(21)13(22)11(20)7-19(10)6-8-1-3-9(4-2-8)14(16,17)18/h8-13,20-22H,1-7H2/t8?,9?,10-,11+,12-,13-/m1/s1.
What are the key properties of (2S,3R,4R,5S)-2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol?
(2S,3R,4R,5S)-2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol has a molecular weight of 329.33 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol is sourced from PubChem (CID 155286634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).