4-(trifluoromethyl)piperidine-3,4-diol

C6H10F3NO2 — CID 70672276

IUPAC4-(trifluoromethyl)piperidine-3,4-diol
SMILESOC1CNCCC1(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c7-6(8,9)5(12)1-2-10-3-4(5)11/h4,10-12H,1-3H2
InChIKeyBMOQTORCXLBQET-UHFFFAOYSA-N
MW185.14 g/mol
LogP-0.37
Rot. Bonds

About 4-(trifluoromethyl)piperidine-3,4-diol

4-(trifluoromethyl)piperidine-3,4-diol (PubChem CID 70672276) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is 4-(trifluoromethyl)piperidine-3,4-diol.

Molecular Properties

Compound Name4-(trifluoromethyl)piperidine-3,4-diol
PubChem CID70672276
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name4-(trifluoromethyl)piperidine-3,4-diol
SMILESOC1CNCCC1(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c7-6(8,9)5(12)1-2-10-3-4(5)11/h4,10-12H,1-3H2
InChIKeyBMOQTORCXLBQET-UHFFFAOYSA-N
XLogP-0.37
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)piperidine-3,4-diol?
The IUPAC name of 4-(trifluoromethyl)piperidine-3,4-diol (CID 70672276) is 4-(trifluoromethyl)piperidine-3,4-diol.
What is the SMILES notation for 4-(trifluoromethyl)piperidine-3,4-diol?
The canonical SMILES for 4-(trifluoromethyl)piperidine-3,4-diol is OC1CNCCC1(O)C(F)(F)F.
What is the InChIKey of 4-(trifluoromethyl)piperidine-3,4-diol?
The InChIKey is BMOQTORCXLBQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c7-6(8,9)5(12)1-2-10-3-4(5)11/h4,10-12H,1-3H2.
What are the key properties of 4-(trifluoromethyl)piperidine-3,4-diol?
4-(trifluoromethyl)piperidine-3,4-diol has a molecular weight of 185.14 g/mol, XLogP of -0.37, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)piperidine-3,4-diol is sourced from PubChem (CID 70672276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).