2,2,2-trifluoro-1-[5-fluoro-2-(trifluoromethyl)piperidin-1-yl]ethanone

C8H8F7NO — CID 134827940

IUPAC2,2,2-trifluoro-1-[5-fluoro-2-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(N1CC(F)CCC1C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F7NO/c9-4-1-2-5(7(10,11)12)16(3-4)6(17)8(13,14)15/h4-5H,1-3H2
InChIKeyHVRUCXJLPAKYSG-UHFFFAOYSA-N
MW267.14 g/mol
LogP2.44
Rot. Bonds

About 2,2,2-trifluoro-1-[5-fluoro-2-(trifluoromethyl)piperidin-1-yl]ethanone

2,2,2-trifluoro-1-[5-fluoro-2-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 134827940) has the molecular formula C8H8F7NO and a molecular weight of 267.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[5-fluoro-2-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[5-fluoro-2-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID134827940
Molecular FormulaC8H8F7NO
Molecular Weight267.14 g/mol
Exact Mass267.05
IUPAC Name2,2,2-trifluoro-1-[5-fluoro-2-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(N1CC(F)CCC1C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F7NO/c9-4-1-2-5(7(10,11)12)16(3-4)6(17)8(13,14)15/h4-5H,1-3H2
InChIKeyHVRUCXJLPAKYSG-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.14
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2,2-trifluoro-1-[5-fluoro-2-(trifluoromethyl)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[5-fluoro-2-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[5-fluoro-2-(trifluoromethyl)piperidin-1-yl]ethanone (CID 134827940) is 2,2,2-trifluoro-1-[5-fluoro-2-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[5-fluoro-2-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[5-fluoro-2-(trifluoromethyl)piperidin-1-yl]ethanone is O=C(N1CC(F)CCC1C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[5-fluoro-2-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is HVRUCXJLPAKYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F7NO/c9-4-1-2-5(7(10,11)12)16(3-4)6(17)8(13,14)15/h4-5H,1-3H2.
What are the key properties of 2,2,2-trifluoro-1-[5-fluoro-2-(trifluoromethyl)piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[5-fluoro-2-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 267.14 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[5-fluoro-2-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 134827940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).