AADCYLCMHOXUEH-JOLBHGKHSA-N

C₁₄H₂₃F₄NO₃ — CID 155286634

About AADCYLCMHOXUEH-JOLBHGKHSA-N

AADCYLCMHOXUEH-JOLBHGKHSA-N (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: AADCYLCMHOXUEH-JOLBHGKHSA-N
• PubChem CID: 155286634
• Molecular Formula: C₁₄H₂₃F₄NO₃
• Molecular Weight: 329.33 g/mol
• Exact Mass: 329.16
• IUPAC Name: (2S,3R,4R,5S)-2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
• SMILES: O[C@H]1[C@H](O)[C@@H](O)CN(CC2CCC(C(F)(F)F)CC2)[C@@H]1CF
• InChI: 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
• InChIKey: AADCYLCMHOXUEH-PSYSUJRZSA-N
• XLogP: 1.09
• TPSA: 63.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.33
LogP ≤ 5	1.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of AADCYLCMHOXUEH-JOLBHGKHSA-N?

The IUPAC name of AADCYLCMHOXUEH-JOLBHGKHSA-N (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 AADCYLCMHOXUEH-JOLBHGKHSA-N?

The canonical SMILES for AADCYLCMHOXUEH-JOLBHGKHSA-N 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 AADCYLCMHOXUEH-JOLBHGKHSA-N?

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 AADCYLCMHOXUEH-JOLBHGKHSA-N?

AADCYLCMHOXUEH-JOLBHGKHSA-N 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 AADCYLCMHOXUEH-JOLBHGKHSA-N is sourced from PubChem (CID 155286634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155286634 — identifiers, structure, computed properties (public domain)

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