(3R,4S)-4-(trifluoromethyl)piperidine-3,4-diol;hydrochloride

C6H11ClF3NO2 — CID 154577080

IUPAC(3R,4S)-4-(trifluoromethyl)piperidine-3,4-diol;hydrochloride
SMILESCl.O[C@@H]1CNCC[C@@]1(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2.ClH/c7-6(8,9)5(12)1-2-10-3-4(5)11;/h4,10-12H,1-3H2;1H/t4-,5+;/m1./s1
InChIKeyLIOFHJZLJGZUKS-JBUOLDKXSA-N
MW221.61 g/mol
LogP0.06
Rot. Bonds

About (3R,4S)-4-(trifluoromethyl)piperidine-3,4-diol;hydrochloride

(3R,4S)-4-(trifluoromethyl)piperidine-3,4-diol;hydrochloride (PubChem CID 154577080) has the molecular formula C6H11ClF3NO2 and a molecular weight of 221.61 g/mol. Its IUPAC name is (3R,4S)-4-(trifluoromethyl)piperidine-3,4-diol;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-4-(trifluoromethyl)piperidine-3,4-diol;hydrochloride
PubChem CID154577080
Molecular FormulaC6H11ClF3NO2
Molecular Weight221.61 g/mol
Exact Mass221.04
IUPAC Name(3R,4S)-4-(trifluoromethyl)piperidine-3,4-diol;hydrochloride
SMILESCl.O[C@@H]1CNCC[C@@]1(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2.ClH/c7-6(8,9)5(12)1-2-10-3-4(5)11;/h4,10-12H,1-3H2;1H/t4-,5+;/m1./s1
InChIKeyLIOFHJZLJGZUKS-JBUOLDKXSA-N
XLogP0.06
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.61
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(trifluoromethyl)piperidine-3,4-diol;hydrochloride?
The IUPAC name of (3R,4S)-4-(trifluoromethyl)piperidine-3,4-diol;hydrochloride (CID 154577080) is (3R,4S)-4-(trifluoromethyl)piperidine-3,4-diol;hydrochloride.
What is the SMILES notation for (3R,4S)-4-(trifluoromethyl)piperidine-3,4-diol;hydrochloride?
The canonical SMILES for (3R,4S)-4-(trifluoromethyl)piperidine-3,4-diol;hydrochloride is Cl.O[C@@H]1CNCC[C@@]1(O)C(F)(F)F.
What is the InChIKey of (3R,4S)-4-(trifluoromethyl)piperidine-3,4-diol;hydrochloride?
The InChIKey is LIOFHJZLJGZUKS-JBUOLDKXSA-N. The full InChI is InChI=1S/C6H10F3NO2.ClH/c7-6(8,9)5(12)1-2-10-3-4(5)11;/h4,10-12H,1-3H2;1H/t4-,5+;/m1./s1.
What are the key properties of (3R,4S)-4-(trifluoromethyl)piperidine-3,4-diol;hydrochloride?
(3R,4S)-4-(trifluoromethyl)piperidine-3,4-diol;hydrochloride has a molecular weight of 221.61 g/mol, XLogP of 0.06, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(trifluoromethyl)piperidine-3,4-diol;hydrochloride is sourced from PubChem (CID 154577080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).