2,2,2-trifluoro-1-(1-methylpiperidin-3-yl)ethanone

C8H12F3NO — CID 18736334

IUPAC2,2,2-trifluoro-1-(1-methylpiperidin-3-yl)ethanone
SMILESCN1CCCC(C(=O)C(F)(F)F)C1
InChIInChI=1S/C8H12F3NO/c1-12-4-2-3-6(5-12)7(13)8(9,10)11/h6H,2-5H2,1H3
InChIKeyOWTJFLQKIYKAFD-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.46
Rot. Bonds1

About 2,2,2-trifluoro-1-(1-methylpiperidin-3-yl)ethanone

2,2,2-trifluoro-1-(1-methylpiperidin-3-yl)ethanone (PubChem CID 18736334) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-methylpiperidin-3-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-methylpiperidin-3-yl)ethanone
PubChem CID18736334
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name2,2,2-trifluoro-1-(1-methylpiperidin-3-yl)ethanone
SMILESCN1CCCC(C(=O)C(F)(F)F)C1
InChIInChI=1S/C8H12F3NO/c1-12-4-2-3-6(5-12)7(13)8(9,10)11/h6H,2-5H2,1H3
InChIKeyOWTJFLQKIYKAFD-UHFFFAOYSA-N
XLogP1.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1-methylpiperidin-3-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(1-methylpiperidin-3-yl)ethanone (CID 18736334) is 2,2,2-trifluoro-1-(1-methylpiperidin-3-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-methylpiperidin-3-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(1-methylpiperidin-3-yl)ethanone is CN1CCCC(C(=O)C(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-1-(1-methylpiperidin-3-yl)ethanone?
The InChIKey is OWTJFLQKIYKAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-12-4-2-3-6(5-12)7(13)8(9,10)11/h6H,2-5H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(1-methylpiperidin-3-yl)ethanone?
2,2,2-trifluoro-1-(1-methylpiperidin-3-yl)ethanone has a molecular weight of 195.18 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1-methylpiperidin-3-yl)ethanone is sourced from PubChem (CID 18736334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).