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

C9H14F3NO2 — CID 126758447

IUPAC1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO2/c1-6(14)13-4-2-7(3-5-13)8(15)9(10,11)12/h7-8,15H,2-5H2,1H3
InChIKeyRVUUOFMQCNGJAR-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.17
Rot. Bonds1

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

1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone (PubChem CID 126758447) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone
PubChem CID126758447
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO2/c1-6(14)13-4-2-7(3-5-13)8(15)9(10,11)12/h7-8,15H,2-5H2,1H3
InChIKeyRVUUOFMQCNGJAR-UHFFFAOYSA-N
XLogP1.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone (CID 126758447) is 1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(C(O)C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone?
The InChIKey is RVUUOFMQCNGJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-6(14)13-4-2-7(3-5-13)8(15)9(10,11)12/h7-8,15H,2-5H2,1H3.
What are the key properties of 1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone?
1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone has a molecular weight of 225.21 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 126758447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).