2,2,2-trifluoro-1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]ethanone

C11H18F3NO3S — CID 90590192

IUPAC2,2,2-trifluoro-1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]ethanone
SMILESCC(C)CS(=O)(=O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO3S/c1-8(2)7-19(17,18)9-3-5-15(6-4-9)10(16)11(12,13)14/h8-9H,3-7H2,1-2H3
InChIKeyZFTVAGKCRQWLMK-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.61
Rot. Bonds3

About 2,2,2-trifluoro-1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]ethanone

2,2,2-trifluoro-1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]ethanone (PubChem CID 90590192) has the molecular formula C11H18F3NO3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]ethanone
PubChem CID90590192
Molecular FormulaC11H18F3NO3S
Molecular Weight301.33 g/mol
Exact Mass301.10
IUPAC Name2,2,2-trifluoro-1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]ethanone
SMILESCC(C)CS(=O)(=O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO3S/c1-8(2)7-19(17,18)9-3-5-15(6-4-9)10(16)11(12,13)14/h8-9H,3-7H2,1-2H3
InChIKeyZFTVAGKCRQWLMK-UHFFFAOYSA-N
XLogP1.61
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 78882937
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CID 78883664
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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]ethanone (CID 90590192) is 2,2,2-trifluoro-1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]ethanone is CC(C)CS(=O)(=O)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]ethanone?
The InChIKey is ZFTVAGKCRQWLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3S/c1-8(2)7-19(17,18)9-3-5-15(6-4-9)10(16)11(12,13)14/h8-9H,3-7H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]ethanone has a molecular weight of 301.33 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 90590192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).