2,2,2-trifluoro-1-piperidin-4-ylethanone;hydrochloride

C7H11ClF3NO — CID 71299628

IUPAC2,2,2-trifluoro-1-piperidin-4-ylethanone;hydrochloride
SMILESCl.O=C(C1CCNCC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO.ClH/c8-7(9,10)6(12)5-1-3-11-4-2-5;/h5,11H,1-4H2;1H
InChIKeyCAKJJXHURHQPRK-UHFFFAOYSA-N
MW217.62 g/mol
LogP1.54
Rot. Bonds1

About 2,2,2-trifluoro-1-piperidin-4-ylethanone;hydrochloride

2,2,2-trifluoro-1-piperidin-4-ylethanone;hydrochloride (PubChem CID 71299628) has the molecular formula C7H11ClF3NO and a molecular weight of 217.62 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-piperidin-4-ylethanone;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-1-piperidin-4-ylethanone;hydrochloride
PubChem CID71299628
Molecular FormulaC7H11ClF3NO
Molecular Weight217.62 g/mol
Exact Mass217.05
IUPAC Name2,2,2-trifluoro-1-piperidin-4-ylethanone;hydrochloride
SMILESCl.O=C(C1CCNCC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO.ClH/c8-7(9,10)6(12)5-1-3-11-4-2-5;/h5,11H,1-4H2;1H
InChIKeyCAKJJXHURHQPRK-UHFFFAOYSA-N
XLogP1.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.62
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-piperidin-4-ylethanone;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-1-piperidin-4-ylethanone;hydrochloride (CID 71299628) is 2,2,2-trifluoro-1-piperidin-4-ylethanone;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-1-piperidin-4-ylethanone;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-1-piperidin-4-ylethanone;hydrochloride is Cl.O=C(C1CCNCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-piperidin-4-ylethanone;hydrochloride?
The InChIKey is CAKJJXHURHQPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO.ClH/c8-7(9,10)6(12)5-1-3-11-4-2-5;/h5,11H,1-4H2;1H.
What are the key properties of 2,2,2-trifluoro-1-piperidin-4-ylethanone;hydrochloride?
2,2,2-trifluoro-1-piperidin-4-ylethanone;hydrochloride has a molecular weight of 217.62 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-piperidin-4-ylethanone;hydrochloride is sourced from PubChem (CID 71299628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).