3-(trifluoromethyl)piperidin-4-one;hydrochloride

C6H9ClF3NO — CID 131872734

IUPAC3-(trifluoromethyl)piperidin-4-one;hydrochloride
SMILESCl.O=C1CCNCC1C(F)(F)F
InChIInChI=1S/C6H8F3NO.ClH/c7-6(8,9)4-3-10-2-1-5(4)11;/h4,10H,1-3H2;1H
InChIKeyWZXFPIGGWOAIEG-UHFFFAOYSA-N
MW203.59 g/mol
LogP1.15
Rot. Bonds

About 3-(trifluoromethyl)piperidin-4-one;hydrochloride

3-(trifluoromethyl)piperidin-4-one;hydrochloride (PubChem CID 131872734) has the molecular formula C6H9ClF3NO and a molecular weight of 203.59 g/mol. Its IUPAC name is 3-(trifluoromethyl)piperidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-(trifluoromethyl)piperidin-4-one;hydrochloride
PubChem CID131872734
Molecular FormulaC6H9ClF3NO
Molecular Weight203.59 g/mol
Exact Mass203.03
IUPAC Name3-(trifluoromethyl)piperidin-4-one;hydrochloride
SMILESCl.O=C1CCNCC1C(F)(F)F
InChIInChI=1S/C6H8F3NO.ClH/c7-6(8,9)4-3-10-2-1-5(4)11;/h4,10H,1-3H2;1H
InChIKeyWZXFPIGGWOAIEG-UHFFFAOYSA-N
XLogP1.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.59
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)piperidin-4-one;hydrochloride?
The IUPAC name of 3-(trifluoromethyl)piperidin-4-one;hydrochloride (CID 131872734) is 3-(trifluoromethyl)piperidin-4-one;hydrochloride.
What is the SMILES notation for 3-(trifluoromethyl)piperidin-4-one;hydrochloride?
The canonical SMILES for 3-(trifluoromethyl)piperidin-4-one;hydrochloride is Cl.O=C1CCNCC1C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)piperidin-4-one;hydrochloride?
The InChIKey is WZXFPIGGWOAIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO.ClH/c7-6(8,9)4-3-10-2-1-5(4)11;/h4,10H,1-3H2;1H.
What are the key properties of 3-(trifluoromethyl)piperidin-4-one;hydrochloride?
3-(trifluoromethyl)piperidin-4-one;hydrochloride has a molecular weight of 203.59 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)piperidin-4-one;hydrochloride is sourced from PubChem (CID 131872734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).