1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone

C7H11F2NO2 — CID 116991455

IUPAC1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone
SMILESO=C(CO)N1CCCC(F)(F)C1
InChIInChI=1S/C7H11F2NO2/c8-7(9)2-1-3-10(5-7)6(12)4-11/h11H,1-5H2
InChIKeyHWJKNDMNFSLLMA-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.24
Rot. Bonds1

About 1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone

1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone (PubChem CID 116991455) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone
PubChem CID116991455
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone
SMILESO=C(CO)N1CCCC(F)(F)C1
InChIInChI=1S/C7H11F2NO2/c8-7(9)2-1-3-10(5-7)6(12)4-11/h11H,1-5H2
InChIKeyHWJKNDMNFSLLMA-UHFFFAOYSA-N
XLogP0.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Oxo-2-(1-piperidinyl)ethanol
CID 6480489
2,2,2-trifluoro-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 93426876
2-hydroxy-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 54031663
2,2,2-Trifluoro-1-(3-hydroxypiperidin-1-yl)ethanone
CID 58992584
(2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 68307518
(2S)-3,3,3-trifluoro-2-hydroxy-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 68378070
2,2,2-trifluoro-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 93426877
1-(3,3-Difluoro-4-propan-2-yloxypiperidin-1-yl)-2-hydroxyethanone
CID 118551804
1-(3,3-Difluoro-4-methoxypiperidin-1-yl)-2-hydroxyethanone
CID 118553700
[3,3-Difluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite
CID 118563694
(2S)-3,3,3-trifluoro-2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 118569745
(2R)-1-(3,3-difluoro-4-methoxypiperidin-1-yl)-2-hydroxypropan-1-one
CID 121246748

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone?
The IUPAC name of 1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone (CID 116991455) is 1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone is O=C(CO)N1CCCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone?
The InChIKey is HWJKNDMNFSLLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c8-7(9)2-1-3-10(5-7)6(12)4-11/h11H,1-5H2.
What are the key properties of 1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone?
1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone has a molecular weight of 179.17 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone is sourced from PubChem (CID 116991455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).