2,2,2-trifluoro-1-(3-fluoro-4,5-dimethylpiperidin-1-yl)ethanone

C9H13F4NO — CID 134827889

IUPAC2,2,2-trifluoro-1-(3-fluoro-4,5-dimethylpiperidin-1-yl)ethanone
SMILESCC1CN(C(=O)C(F)(F)F)CC(F)C1C
InChIInChI=1S/C9H13F4NO/c1-5-3-14(4-7(10)6(5)2)8(15)9(11,12)13/h5-7H,3-4H2,1-2H3
InChIKeyOHJFSOOLOIRANI-UHFFFAOYSA-N
MW227.20 g/mol
LogP2.00
Rot. Bonds

About 2,2,2-trifluoro-1-(3-fluoro-4,5-dimethylpiperidin-1-yl)ethanone

2,2,2-trifluoro-1-(3-fluoro-4,5-dimethylpiperidin-1-yl)ethanone (PubChem CID 134827889) has the molecular formula C9H13F4NO and a molecular weight of 227.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-fluoro-4,5-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-fluoro-4,5-dimethylpiperidin-1-yl)ethanone
PubChem CID134827889
Molecular FormulaC9H13F4NO
Molecular Weight227.20 g/mol
Exact Mass227.09
IUPAC Name2,2,2-trifluoro-1-(3-fluoro-4,5-dimethylpiperidin-1-yl)ethanone
SMILESCC1CN(C(=O)C(F)(F)F)CC(F)C1C
InChIInChI=1S/C9H13F4NO/c1-5-3-14(4-7(10)6(5)2)8(15)9(11,12)13/h5-7H,3-4H2,1-2H3
InChIKeyOHJFSOOLOIRANI-UHFFFAOYSA-N
XLogP2.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.20
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-fluoro-4,5-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(3-fluoro-4,5-dimethylpiperidin-1-yl)ethanone (CID 134827889) is 2,2,2-trifluoro-1-(3-fluoro-4,5-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-fluoro-4,5-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(3-fluoro-4,5-dimethylpiperidin-1-yl)ethanone is CC1CN(C(=O)C(F)(F)F)CC(F)C1C.
What is the InChIKey of 2,2,2-trifluoro-1-(3-fluoro-4,5-dimethylpiperidin-1-yl)ethanone?
The InChIKey is OHJFSOOLOIRANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4NO/c1-5-3-14(4-7(10)6(5)2)8(15)9(11,12)13/h5-7H,3-4H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-(3-fluoro-4,5-dimethylpiperidin-1-yl)ethanone?
2,2,2-trifluoro-1-(3-fluoro-4,5-dimethylpiperidin-1-yl)ethanone has a molecular weight of 227.20 g/mol, XLogP of 2.00, 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-(3-fluoro-4,5-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 134827889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).