1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanone;hydrochloride

C9H15ClF3NO — CID 112756476

IUPAC1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanone;hydrochloride
SMILESCC(=O)C1CCN(CC(F)(F)F)CC1.Cl
InChIInChI=1S/C9H14F3NO.ClH/c1-7(14)8-2-4-13(5-3-8)6-9(10,11)12;/h8H,2-6H2,1H3;1H
InChIKeySFDGQOVLNDHGPT-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.27
Rot. Bonds2

About 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanone;hydrochloride

1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanone;hydrochloride (PubChem CID 112756476) has the molecular formula C9H15ClF3NO and a molecular weight of 245.67 g/mol. Its IUPAC name is 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanone;hydrochloride
PubChem CID112756476
Molecular FormulaC9H15ClF3NO
Molecular Weight245.67 g/mol
Exact Mass245.08
IUPAC Name1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanone;hydrochloride
SMILESCC(=O)C1CCN(CC(F)(F)F)CC1.Cl
InChIInChI=1S/C9H14F3NO.ClH/c1-7(14)8-2-4-13(5-3-8)6-9(10,11)12;/h8H,2-6H2,1H3;1H
InChIKeySFDGQOVLNDHGPT-UHFFFAOYSA-N
XLogP2.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanone;hydrochloride?
The IUPAC name of 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanone;hydrochloride (CID 112756476) is 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanone;hydrochloride is CC(=O)C1CCN(CC(F)(F)F)CC1.Cl.
What is the InChIKey of 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanone;hydrochloride?
The InChIKey is SFDGQOVLNDHGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO.ClH/c1-7(14)8-2-4-13(5-3-8)6-9(10,11)12;/h8H,2-6H2,1H3;1H.
What are the key properties of 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanone;hydrochloride?
1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanone;hydrochloride has a molecular weight of 245.67 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethanone;hydrochloride is sourced from PubChem (CID 112756476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).