3,3,3-trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one

C9H14F3NO2 — CID 43421699

IUPAC3,3,3-trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CC(F)(F)F)N1CCCCC1CO
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)5-8(15)13-4-2-1-3-7(13)6-14/h7,14H,1-6H2
InChIKeyLXQQLGUCZBMQJG-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.31
Rot. Bonds2

About 3,3,3-trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one

3,3,3-trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one (PubChem CID 43421699) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
PubChem CID43421699
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name3,3,3-trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CC(F)(F)F)N1CCCCC1CO
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)5-8(15)13-4-2-1-3-7(13)6-14/h7,14H,1-6H2
InChIKeyLXQQLGUCZBMQJG-UHFFFAOYSA-N
XLogP1.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 21846889
2,2,2-trifluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylacetamide
CID 53643997
[1-(2,2,2-Trifluoroethyl)piperidin-2-yl]methanol
CID 60774899
[1-(2,2-Difluoroethyl)piperidin-2-yl]methanol
CID 62022333
2,2,2-trifluoro-1-[(2R,5S)-5-hydroxy-2-methylpiperidin-1-yl]ethanone
CID 117635119
2,2,2-trifluoro-1-[(2R,5R)-5-hydroxy-2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 132022401
(2R)-4,4-difluoro-2-(hydroxymethyl)piperidine-1-carboxylic acid
CID 135240435
2,2-difluoro-1-[(2R,5R)-2-fluoro-5-hydroxy-2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 141721610
[(2R)-1-(2,2,2-trifluoroacetyl)piperidin-2-yl]methylperoxythallium
CID 142455278
2,2,2-trifluoro-1-[(2S,5S)-5-hydroxy-2-methylpiperidin-1-yl]ethanone
CID 153951885
2-(2,2,2-Trifluoro-1-hydroxyethyl)piperidine-1-carboxylic acid
CID 156067145
5,5-Difluoro-2-(hydroxymethyl)piperidine-1-carboxylic acid
CID 172798789

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one (CID 43421699) is 3,3,3-trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one is O=C(CC(F)(F)F)N1CCCCC1CO.
What is the InChIKey of 3,3,3-trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The InChIKey is LXQQLGUCZBMQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)5-8(15)13-4-2-1-3-7(13)6-14/h7,14H,1-6H2.
What are the key properties of 3,3,3-trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one?
3,3,3-trifluoro-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one has a molecular weight of 225.21 g/mol, XLogP of 1.31, 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-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 43421699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).