1-[(3S)-4,4-difluoro-3-methoxypiperidin-1-yl]ethanone

C8H13F2NO2 — CID 118504503

IUPAC1-[(3S)-4,4-difluoro-3-methoxypiperidin-1-yl]ethanone
SMILESCO[C@H]1CN(C(C)=O)CCC1(F)F
InChIInChI=1S/C8H13F2NO2/c1-6(12)11-4-3-8(9,10)7(5-11)13-2/h7H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyISBFFQZHCYUGAO-ZETCQYMHSA-N
MW193.19 g/mol
LogP0.89
Rot. Bonds1

About 1-[(3S)-4,4-difluoro-3-methoxypiperidin-1-yl]ethanone

1-[(3S)-4,4-difluoro-3-methoxypiperidin-1-yl]ethanone (PubChem CID 118504503) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 1-[(3S)-4,4-difluoro-3-methoxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-4,4-difluoro-3-methoxypiperidin-1-yl]ethanone
PubChem CID118504503
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name1-[(3S)-4,4-difluoro-3-methoxypiperidin-1-yl]ethanone
SMILESCO[C@H]1CN(C(C)=O)CCC1(F)F
InChIInChI=1S/C8H13F2NO2/c1-6(12)11-4-3-8(9,10)7(5-11)13-2/h7H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyISBFFQZHCYUGAO-ZETCQYMHSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(3S)-4,4-difluoro-3-methoxypiperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Piperidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 45887316
2,2,2-trifluoro-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 93426876
2,2,2-Trifluoro-1-(cis-3-fluoro-4-methoxypiperidin-1-yl)ethan-1-one
CID 134827899
N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 164630389
1-[4-(2,2,2-Trifluoro-1-methoxyethyl)piperidin-1-yl]ethanone
CID 58450278
1-[4-Fluoro-4-(2,2,2-trifluoro-1-methoxyethyl)piperidin-1-yl]ethanone
CID 58450378
2,2,2-Trifluoro-1-(4-methoxypiperidin-1-yl)ethanone
CID 58896716
2,2,2-Trifluoro-1-(3-hydroxypiperidin-1-yl)ethanone
CID 58992584
2,2,2-Trifluoro-1-(2-methylmorpholin-4-yl)ethanone
CID 62490417
1-(4-Ethoxypiperidin-1-yl)-2,2,2-trifluoroethanone
CID 62726538
1-(2-Ethylmorpholin-4-yl)-2,2,2-trifluoroethanone
CID 62733177
1-[4-(2,2,2-Trifluoroethoxy)piperidin-1-yl]ethanone
CID 68211716

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-4,4-difluoro-3-methoxypiperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-4,4-difluoro-3-methoxypiperidin-1-yl]ethanone (CID 118504503) is 1-[(3S)-4,4-difluoro-3-methoxypiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-4,4-difluoro-3-methoxypiperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-4,4-difluoro-3-methoxypiperidin-1-yl]ethanone is CO[C@H]1CN(C(C)=O)CCC1(F)F.
What is the InChIKey of 1-[(3S)-4,4-difluoro-3-methoxypiperidin-1-yl]ethanone?
The InChIKey is ISBFFQZHCYUGAO-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-6(12)11-4-3-8(9,10)7(5-11)13-2/h7H,3-5H2,1-2H3/t7-/m0/s1.
What are the key properties of 1-[(3S)-4,4-difluoro-3-methoxypiperidin-1-yl]ethanone?
1-[(3S)-4,4-difluoro-3-methoxypiperidin-1-yl]ethanone has a molecular weight of 193.19 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-4,4-difluoro-3-methoxypiperidin-1-yl]ethanone is sourced from PubChem (CID 118504503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).