3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one

C11H18F3NO2 — CID 123148937

IUPAC3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)C1CCN(C(=O)C(O)C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO2/c1-7(2)8-3-5-15(6-4-8)10(17)9(16)11(12,13)14/h7-9,16H,3-6H2,1-2H3
InChIKeyJPBYZZYNFTZCOB-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.80
Rot. Bonds2

About 3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one

3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one (PubChem CID 123148937) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
PubChem CID123148937
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)C1CCN(C(=O)C(O)C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO2/c1-7(2)8-3-5-15(6-4-8)10(17)9(16)11(12,13)14/h7-9,16H,3-6H2,1-2H3
InChIKeyJPBYZZYNFTZCOB-UHFFFAOYSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one (CID 123148937) is 3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one is CC(C)C1CCN(C(=O)C(O)C(F)(F)F)CC1.
What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The InChIKey is JPBYZZYNFTZCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-7(2)8-3-5-15(6-4-8)10(17)9(16)11(12,13)14/h7-9,16H,3-6H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one has a molecular weight of 253.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 123148937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).