1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethanone

C9H14F3NO — CID 63844411

IUPAC1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C9H14F3NO/c1-7(14)8-3-2-4-13(5-8)6-9(10,11)12/h8H,2-6H2,1H3
InChIKeyPEGRGRIYQBRBEW-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.85
Rot. Bonds2

About 1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethanone

1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethanone (PubChem CID 63844411) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethanone
PubChem CID63844411
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C9H14F3NO/c1-7(14)8-3-2-4-13(5-8)6-9(10,11)12/h8H,2-6H2,1H3
InChIKeyPEGRGRIYQBRBEW-UHFFFAOYSA-N
XLogP1.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.85
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-3-yl]ethanone?
The IUPAC name of 1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethanone (CID 63844411) is 1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethanone is CC(=O)C1CCCN(CC(F)(F)F)C1.
What is the InChIKey of 1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethanone?
The InChIKey is PEGRGRIYQBRBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-7(14)8-3-2-4-13(5-8)6-9(10,11)12/h8H,2-6H2,1H3.
What are the key properties of 1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethanone?
1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethanone has a molecular weight of 209.21 g/mol, XLogP of 1.85, 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-3-yl]ethanone is sourced from PubChem (CID 63844411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).