4-(trifluoromethoxy)piperidine;hydrochloride

C6H11ClF3NO — CID 86811703

IUPAC4-(trifluoromethoxy)piperidine;hydrochloride
SMILESCl.FC(F)(F)OC1CCNCC1
InChIInChI=1S/C6H10F3NO.ClH/c7-6(8,9)11-5-1-3-10-4-2-5;/h5,10H,1-4H2;1H
InChIKeyGMUVEHCUCSYYKR-UHFFFAOYSA-N
MW205.61 g/mol
LogP1.70
Rot. Bonds1

About 4-(trifluoromethoxy)piperidine;hydrochloride

4-(trifluoromethoxy)piperidine;hydrochloride (PubChem CID 86811703) has the molecular formula C6H11ClF3NO and a molecular weight of 205.61 g/mol. Its IUPAC name is 4-(trifluoromethoxy)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(trifluoromethoxy)piperidine;hydrochloride
PubChem CID86811703
Molecular FormulaC6H11ClF3NO
Molecular Weight205.61 g/mol
Exact Mass205.05
IUPAC Name4-(trifluoromethoxy)piperidine;hydrochloride
SMILESCl.FC(F)(F)OC1CCNCC1
InChIInChI=1S/C6H10F3NO.ClH/c7-6(8,9)11-5-1-3-10-4-2-5;/h5,10H,1-4H2;1H
InChIKeyGMUVEHCUCSYYKR-UHFFFAOYSA-N
XLogP1.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.61
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)piperidine;hydrochloride?
The IUPAC name of 4-(trifluoromethoxy)piperidine;hydrochloride (CID 86811703) is 4-(trifluoromethoxy)piperidine;hydrochloride.
What is the SMILES notation for 4-(trifluoromethoxy)piperidine;hydrochloride?
The canonical SMILES for 4-(trifluoromethoxy)piperidine;hydrochloride is Cl.FC(F)(F)OC1CCNCC1.
What is the InChIKey of 4-(trifluoromethoxy)piperidine;hydrochloride?
The InChIKey is GMUVEHCUCSYYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO.ClH/c7-6(8,9)11-5-1-3-10-4-2-5;/h5,10H,1-4H2;1H.
What are the key properties of 4-(trifluoromethoxy)piperidine;hydrochloride?
4-(trifluoromethoxy)piperidine;hydrochloride has a molecular weight of 205.61 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)piperidine;hydrochloride is sourced from PubChem (CID 86811703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).