1-(2,2,2-trifluoro-1-phenylethyl)piperidin-2-one

C13H14F3NO — CID 69084296

IUPAC1-(2,2,2-trifluoro-1-phenylethyl)piperidin-2-one
SMILESO=C1CCCCN1C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H14F3NO/c14-13(15,16)12(10-6-2-1-3-7-10)17-9-5-4-8-11(17)18/h1-3,6-7,12H,4-5,8-9H2
InChIKeyUUCDJGWRIHLBEN-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.30
Rot. Bonds2

About 1-(2,2,2-trifluoro-1-phenylethyl)piperidin-2-one

1-(2,2,2-trifluoro-1-phenylethyl)piperidin-2-one (PubChem CID 69084296) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 1-(2,2,2-trifluoro-1-phenylethyl)piperidin-2-one.

Molecular Properties

Compound Name1-(2,2,2-trifluoro-1-phenylethyl)piperidin-2-one
PubChem CID69084296
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name1-(2,2,2-trifluoro-1-phenylethyl)piperidin-2-one
SMILESO=C1CCCCN1C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H14F3NO/c14-13(15,16)12(10-6-2-1-3-7-10)17-9-5-4-8-11(17)18/h1-3,6-7,12H,4-5,8-9H2
InChIKeyUUCDJGWRIHLBEN-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoro-1-phenylethyl)piperidin-2-one?
The IUPAC name of 1-(2,2,2-trifluoro-1-phenylethyl)piperidin-2-one (CID 69084296) is 1-(2,2,2-trifluoro-1-phenylethyl)piperidin-2-one.
What is the SMILES notation for 1-(2,2,2-trifluoro-1-phenylethyl)piperidin-2-one?
The canonical SMILES for 1-(2,2,2-trifluoro-1-phenylethyl)piperidin-2-one is O=C1CCCCN1C(c1ccccc1)C(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoro-1-phenylethyl)piperidin-2-one?
The InChIKey is UUCDJGWRIHLBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c14-13(15,16)12(10-6-2-1-3-7-10)17-9-5-4-8-11(17)18/h1-3,6-7,12H,4-5,8-9H2.
What are the key properties of 1-(2,2,2-trifluoro-1-phenylethyl)piperidin-2-one?
1-(2,2,2-trifluoro-1-phenylethyl)piperidin-2-one has a molecular weight of 257.25 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoro-1-phenylethyl)piperidin-2-one is sourced from PubChem (CID 69084296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).