(2S,6R)-2,6-bis(trifluoromethyl)piperidine;hydrochloride

C7H10ClF6N — CID 119031846

IUPAC(2S,6R)-2,6-bis(trifluoromethyl)piperidine;hydrochloride
SMILESCl.FC(F)(F)[C@@H]1CCC[C@H](C(F)(F)F)N1
InChIInChI=1S/C7H9F6N.ClH/c8-6(9,10)4-2-1-3-5(14-4)7(11,12)13;/h4-5,14H,1-3H2;1H/t4-,5+;
InChIKeyQWCGHRBBNWYCRU-JEVYUYNZSA-N
MW257.61 g/mol
LogP3.04
Rot. Bonds

About (2S,6R)-2,6-bis(trifluoromethyl)piperidine;hydrochloride

(2S,6R)-2,6-bis(trifluoromethyl)piperidine;hydrochloride (PubChem CID 119031846) has the molecular formula C7H10ClF6N and a molecular weight of 257.61 g/mol. Its IUPAC name is (2S,6R)-2,6-bis(trifluoromethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name(2S,6R)-2,6-bis(trifluoromethyl)piperidine;hydrochloride
PubChem CID119031846
Molecular FormulaC7H10ClF6N
Molecular Weight257.61 g/mol
Exact Mass257.04
IUPAC Name(2S,6R)-2,6-bis(trifluoromethyl)piperidine;hydrochloride
SMILESCl.FC(F)(F)[C@@H]1CCC[C@H](C(F)(F)F)N1
InChIInChI=1S/C7H9F6N.ClH/c8-6(9,10)4-2-1-3-5(14-4)7(11,12)13;/h4-5,14H,1-3H2;1H/t4-,5+;
InChIKeyQWCGHRBBNWYCRU-JEVYUYNZSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.61
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-bis(trifluoromethyl)piperidine;hydrochloride?
The IUPAC name of (2S,6R)-2,6-bis(trifluoromethyl)piperidine;hydrochloride (CID 119031846) is (2S,6R)-2,6-bis(trifluoromethyl)piperidine;hydrochloride.
What is the SMILES notation for (2S,6R)-2,6-bis(trifluoromethyl)piperidine;hydrochloride?
The canonical SMILES for (2S,6R)-2,6-bis(trifluoromethyl)piperidine;hydrochloride is Cl.FC(F)(F)[C@@H]1CCC[C@H](C(F)(F)F)N1.
What is the InChIKey of (2S,6R)-2,6-bis(trifluoromethyl)piperidine;hydrochloride?
The InChIKey is QWCGHRBBNWYCRU-JEVYUYNZSA-N. The full InChI is InChI=1S/C7H9F6N.ClH/c8-6(9,10)4-2-1-3-5(14-4)7(11,12)13;/h4-5,14H,1-3H2;1H/t4-,5+;.
What are the key properties of (2S,6R)-2,6-bis(trifluoromethyl)piperidine;hydrochloride?
(2S,6R)-2,6-bis(trifluoromethyl)piperidine;hydrochloride has a molecular weight of 257.61 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-bis(trifluoromethyl)piperidine;hydrochloride is sourced from PubChem (CID 119031846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).