2,2,2-trifluoro-1-[(2S)-2-methylpiperidin-4-yl]ethanone

C8H12F3NO — CID 10125130

IUPAC2,2,2-trifluoro-1-[(2S)-2-methylpiperidin-4-yl]ethanone
SMILESC[C@H]1CC(C(=O)C(F)(F)F)CCN1
InChIInChI=1S/C8H12F3NO/c1-5-4-6(2-3-12-5)7(13)8(9,10)11/h5-6,12H,2-4H2,1H3/t5-,6?/m0/s1
InChIKeyKBDDVNGDDSCFTC-ZBHICJROSA-N
MW195.18 g/mol
LogP1.51
Rot. Bonds1

About 2,2,2-trifluoro-1-[(2S)-2-methylpiperidin-4-yl]ethanone

2,2,2-trifluoro-1-[(2S)-2-methylpiperidin-4-yl]ethanone (PubChem CID 10125130) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(2S)-2-methylpiperidin-4-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(2S)-2-methylpiperidin-4-yl]ethanone
PubChem CID10125130
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name2,2,2-trifluoro-1-[(2S)-2-methylpiperidin-4-yl]ethanone
SMILESC[C@H]1CC(C(=O)C(F)(F)F)CCN1
InChIInChI=1S/C8H12F3NO/c1-5-4-6(2-3-12-5)7(13)8(9,10)11/h5-6,12H,2-4H2,1H3/t5-,6?/m0/s1
InChIKeyKBDDVNGDDSCFTC-ZBHICJROSA-N
XLogP1.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.51
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-[(2S)-2-methylpiperidin-4-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[(2S)-2-methylpiperidin-4-yl]ethanone (CID 10125130) is 2,2,2-trifluoro-1-[(2S)-2-methylpiperidin-4-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[(2S)-2-methylpiperidin-4-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[(2S)-2-methylpiperidin-4-yl]ethanone is C[C@H]1CC(C(=O)C(F)(F)F)CCN1.
What is the InChIKey of 2,2,2-trifluoro-1-[(2S)-2-methylpiperidin-4-yl]ethanone?
The InChIKey is KBDDVNGDDSCFTC-ZBHICJROSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-5-4-6(2-3-12-5)7(13)8(9,10)11/h5-6,12H,2-4H2,1H3/t5-,6?/m0/s1.
What are the key properties of 2,2,2-trifluoro-1-[(2S)-2-methylpiperidin-4-yl]ethanone?
2,2,2-trifluoro-1-[(2S)-2-methylpiperidin-4-yl]ethanone has a molecular weight of 195.18 g/mol, XLogP of 1.51, 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-[(2S)-2-methylpiperidin-4-yl]ethanone is sourced from PubChem (CID 10125130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).