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

C6H10F3NO2 — CID 143125030

IUPAC(4R)-4-(trifluoromethyl)piperidine-3,4-diol
SMILESOC1CNCC[C@]1(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/t4?,5-/m1/s1
InChIKeyBMOQTORCXLBQET-BRJRFNKRSA-N
MW185.14 g/mol
LogP-0.37
Rot. Bonds

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

(4R)-4-(trifluoromethyl)piperidine-3,4-diol (PubChem CID 143125030) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is (4R)-4-(trifluoromethyl)piperidine-3,4-diol.

Molecular Properties

Compound Name(4R)-4-(trifluoromethyl)piperidine-3,4-diol
PubChem CID143125030
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name(4R)-4-(trifluoromethyl)piperidine-3,4-diol
SMILESOC1CNCC[C@]1(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/t4?,5-/m1/s1
InChIKeyBMOQTORCXLBQET-BRJRFNKRSA-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 (4R)-4-(trifluoromethyl)piperidine-3,4-diol?
The IUPAC name of (4R)-4-(trifluoromethyl)piperidine-3,4-diol (CID 143125030) is (4R)-4-(trifluoromethyl)piperidine-3,4-diol.
What is the SMILES notation for (4R)-4-(trifluoromethyl)piperidine-3,4-diol?
The canonical SMILES for (4R)-4-(trifluoromethyl)piperidine-3,4-diol is OC1CNCC[C@]1(O)C(F)(F)F.
What is the InChIKey of (4R)-4-(trifluoromethyl)piperidine-3,4-diol?
The InChIKey is BMOQTORCXLBQET-BRJRFNKRSA-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/t4?,5-/m1/s1.
What are the key properties of (4R)-4-(trifluoromethyl)piperidine-3,4-diol?
(4R)-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 (4R)-4-(trifluoromethyl)piperidine-3,4-diol is sourced from PubChem (CID 143125030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).