(2S)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one

C12H20F3NO2 — CID 10825720

IUPAC(2S)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one
SMILESCCCC1CCN(C(=O)[C@](C)(O)C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO2/c1-3-4-9-5-7-16(8-6-9)10(17)11(2,18)12(13,14)15/h9,18H,3-8H2,1-2H3/t11-/m0/s1
InChIKeyVHXXBZAIKAGAMA-NSHDSACASA-N
MW267.29 g/mol
LogP2.34
Rot. Bonds3

About (2S)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one

(2S)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one (PubChem CID 10825720) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is (2S)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one
PubChem CID10825720
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name(2S)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one
SMILESCCCC1CCN(C(=O)[C@](C)(O)C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO2/c1-3-4-9-5-7-16(8-6-9)10(17)11(2,18)12(13,14)15/h9,18H,3-8H2,1-2H3/t11-/m0/s1
InChIKeyVHXXBZAIKAGAMA-NSHDSACASA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one?
The IUPAC name of (2S)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one (CID 10825720) is (2S)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for (2S)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one?
The canonical SMILES for (2S)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one is CCCC1CCN(C(=O)[C@](C)(O)C(F)(F)F)CC1.
What is the InChIKey of (2S)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one?
The InChIKey is VHXXBZAIKAGAMA-NSHDSACASA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-3-4-9-5-7-16(8-6-9)10(17)11(2,18)12(13,14)15/h9,18H,3-8H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one?
(2S)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one has a molecular weight of 267.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 10825720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).